SCHEMBL6938404

SCHEMBL6938404

CC1(C)CCC(C)(C)c2cc3c(cc21)CC(O)C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.37
RARG P13631 9/20 0.37
RARA P10276 7/20 0.37
RXRA P19793 13/20 0.36
RXRB P28702 10/20 0.36
RXRG P48443 7/20 0.36
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 1/20 0.35
CYP26A1 O43174 2/20 0.33
CYP3A4 P08684 1/20 0.33
CRABP2 P29373 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
SCHEMBL11599145 0.72 RXRA (0.42) RARBRARGRARARXRARXRB
SCHEMBL21776990 0.72 RARB (0.31) RARBRARGRARARXRARXRB
SCHEMBL21293949 0.71 CHRM4 (0.36) RXRACYP3A4
SCHEMBL8308767 0.70 RXRA (0.36) RARBRARGRARARXRARXRB
SCHEMBL5009416 0.70 RXRA (0.41) RARBRARGRARARXRARXRB
SCHEMBL6939291 0.70 RXRA (0.36) RARBRARGRARARXRARXRB
SCHEMBL15347776 0.69 RXRA (0.50) RARBRARGRARARXRARXRB
SCHEMBL23343811 0.67 DRD2 (0.54) CYP26A1
SCHEMBL3961628 0.67 DRD2 (0.54) CYP26A1
SCHEMBL6250546 0.67 BRD4 (0.32)

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