SCHEMBL6287799

SCHEMBL6287799

CC1=C(C)CC(c2ccc(C(C)(C)C)cc2)=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
KIF11 P52732 4/20 0.41
HTR1D P28221 1/20 0.37
ADRA1A P35348 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
FGF23 Q9GZV9 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17135831 0.82 KIF11 (0.42) KIF11NISCH
SCHEMBL6287776 0.79 ACHE (0.38) NISCHLMNABRD4ALDH1A1HPGD
SCHEMBL2139250 0.78 KIF11 (0.37) TSHRKIF11HTR1DADRA1ANISCH
SCHEMBL6287254 0.74 NPC1 (0.40) TSHRLMNANPC1RAB9AALDH1A1
SCHEMBL5084354 0.73 HRH3 (0.34)
SCHEMBL10697684 0.72 KIF11 (0.41) TSHRKIF11HTR1DADRA1ANISCH
SCHEMBL6283992 0.71 CYP11B1 (0.49) TSHRKIF11NISCHLMNAFGF23
SCHEMBL3423876 0.69 KIF11 (0.70) TSHRKIF11HTR1DADRA1ANISCH
SCHEMBL26915 0.69 KIF11 (0.70) TSHRKIF11HTR1DADRA1ANISCH
SCHEMBL13700691 0.69 KIF11 (0.41) KIF11NISCH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010049425-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-12-06 US claimed
US-20010034426-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-10-25 US claimed
US-6169151-B1 MADE BY POLYMERIZING ETHYLENE AND ALPHA-OLEFIN(S) USING AN UNBRIDGED, ROTATING, NON-RIGID FLUXIONAL METALLOCENE CATALYST AND COCATALYST; CRYSTALLIZABLE ELASTOMERIC COPOLYMER PRODUCT HAS HIGHER MELTING POINT, NARROW COMPOSITION DISTRIBUTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2001-01-02 US claimed
US-6960550-B2 Catalyst systems for high melting thermoplastic elastomeric α-olefin polymers and plastomers THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-11-01 US disclosed
US-20030195308-A1 Catalyst systems for high melting thermoplastic elastomeric alpha-olefin polymers and plastomers THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-10-16 US disclosed
US-6518378-B2 Using an unbridged cyclopentadienyl metallocene catalyst capable of interconverting between states with different copolymerization characteristics THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-02-11 US disclosed
US-6479685-B2 POLYMERIZING ETHYLENE AND ANOTHER ALPHA-OLEFIN IN THE PRESENCE OF AN UNBRIDGED, ROTATING, NON-RIGID FLUXIONAL METALLOCENE CATALYST COMPONENT AND A CO-CATALYST THE BOARD OF TRUSTEES OF THE LELAND STANDARD JUNIOR UNIVERSITY 2002-11-12 US disclosed
US-20010049425-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-12-06 US disclosed
US-20010034426-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-10-25 US disclosed
US-6169151-B1 MADE BY POLYMERIZING ETHYLENE AND ALPHA-OLEFIN(S) USING AN UNBRIDGED, ROTATING, NON-RIGID FLUXIONAL METALLOCENE CATALYST AND COCATALYST; CRYSTALLIZABLE ELASTOMERIC COPOLYMER PRODUCT HAS HIGHER MELTING POINT, NARROW COMPOSITION DISTRIBUTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2001-01-02 US disclosed
US-6160064-A POLYMERIZING MONOMERS IN PRESENCE OF CATALYST SYSTEM COMPRISING UNBRIDGED FLUXIONAL METALLOCENE AND COCATALYST, INTRODUCING ETHYLENE INTO SYSTEM TO INDUCE POLYMERIZATION RATE ENHANCEMENT/ELASTOMERIC PROPERTY ENHANCING EFFECTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-12-12 US disclosed
WO-1999035171-A1 HIGH-MELTING POLYOLEFIN COPOLYMER ELASTOMERS, CATALYSTS AND METHODS OF SYNTHESIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY (US) 1999-07-15 WO disclosed