SCHEMBL6285519

SCHEMBL6285519

OC1(c2ccccc2C(F)(F)F)CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
PDK2 Q15119 2/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
HSD11B1 P28845 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.35
ORAI1 Q96D31 1/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL17276351 0.85 PDK2 (0.44) HDAC4PDK2CYP11B1CYP11B2KDM1A
SCHEMBL17276193 0.82 PDK2 (0.45) HDAC4PDK2KDM1AHDAC3HDAC1
SCHEMBL17276159 0.79 HDAC4 (0.39) HDAC4PDK2CYP11B1CYP11B2HSD11B1
SCHEMBL17276348 0.78 PDK2 (0.52) HDAC4PDK2
SCHEMBL17276110 0.77 HDAC4 (0.43) HDAC4PDK2CYP11B1CYP11B2HSD11B1
SCHEMBL7819564 0.77 KCNH2 (0.41) CYP11B1CYP11B2TSHRALDH1A1HTT
SCHEMBL3053835 0.77 KDM1A (0.43) KDM1AMAOBHDAC9TSHRTDP1
SCHEMBL17275591 0.76 HDAC4 (0.40) HDAC4CYP11B1CYP11B2HDAC3HDAC1
SCHEMBL6289733 0.74 KDM1A (0.41) HDAC4KDM1AMAOBHDAC9TSHR
SCHEMBL19130585 0.74 KDM1A (0.41) HDAC4KDM1AMAOBHDAC9TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6566544-B1 Indene ring-containing metallocene-complex catalysts THE BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY 2003-05-20 US disclosed
US-6559262-B1 An elastomeric amorphous-crystalline blocks copolymer of at least one alpha olefin monomor with ethylene having less than 10 mole % ethylene units, said ethylene is incorporated randomly between the olefin units in the polymer chain with a THE BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY 2003-05-06 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
US-5969070-A HOMOGENEOUS COMPOSITION FORMED FROM LINEAR OR BRANCHED CHAIN C3 TO C10 MONOMERS SUCH AS PROPYLENE, 1-BUTENE, 1-PENTENE, 4-METHYL-1-PENTENE, 1-HEXENE AND MIXTURES THEREOF, COMPRISING ALTERNATING ISOTACTIC AND ATACTIC DISASTEREOSEQUENCES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1999-10-19 US disclosed
EP-0802935-A4 THERMOPLASTIC ELASTOMERIC STEREOBLOCK OLEFIN POLYMERS METHODS AND METALLOCENE CATALYSTS UNIV LELAND STANFORD JUNIOR (US) 1998-09-30 EP disclosed
EP-0802935-A1 THERMOPLASTIC ELASTOMERIC STEREOBLOCK OLEFIN POLYMERS METHODS AND METALLOCENE CATALYSTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1997-10-29 EP disclosed
WO-1995025757-A1 THERMOPLASTIC ELASTOMERIC STEREOBLOCK OLEFIN POLYMERS METHODS AND METALLOCENE CATALYSTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1995-09-28 WO disclosed