SCHEMBL6940332

SCHEMBL6940332

CC(C)(C)c1cc(C2=Cc3cc4ccccc4cc3C2)cc(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RXRB P28702 5/20 0.32
RXRA P19793 4/20 0.32
RXRG P48443 3/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL6280690 0.83 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1RXRBRXRA
SCHEMBL29897870 0.83 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1RXRBRXRA
SCHEMBL6940536 0.80 CYP11B1 (0.37) CYP11B1CYP11B2CYP19A1KDM4EGAA
SCHEMBL6940199 0.80 RXRB (0.33) KDM4EGAAMAPTRXRBRXRA
SCHEMBL6939426 0.79 RXRB (0.39) CYP11B1CYP11B2CYP19A1RXRBRXRA
SCHEMBL6942183 0.76 S1PR1 (0.33) KDM4EGAAMAPTS1PR1S1PR3
SCHEMBL7090598 0.74 CYP11B2 (0.50) CYP11B1CYP11B2CYP19A1KDM4EMAPT
SCHEMBL6942040 0.74 CYP11B1 (0.36) CYP11B1CYP11B2CYP19A1KDM4EGAA
SCHEMBL6938203 0.74 RXRA (0.33) CYP11B1CYP11B2CYP19A1RXRBRXRA
SCHEMBL21776765 0.72 PTGS2 (0.41) CYP11B1CYP11B2CYP19A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157047-B1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP CORP NORTH AMERICA INC (US) 2003-04-23 EP disclosed
US-6479424-B1 FOR PRODUCING OLEFIN POLYMERS AND ESPECIALLY ELASTOMERIC PROPYLENE POLYMERS BP CORPORATION NORTH AMERICA INC. 2002-11-12 US disclosed
EP-1157047-A1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP Corporation North America Inc. (US) 2001-11-28 EP disclosed
WO-2000035975-A1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP CORPORATION NORTH AMERICA INC. (US) 2000-06-22 WO disclosed