SCHEMBL6578876

SCHEMBL6578876

[c]1ccc(C2CCC(c3cc[c]cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ESR2 Q92731 13/20 0.42
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ESR1 P03372 6/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
GRIN2B Q13224 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 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
SCHEMBL22929 1.00
SCHEMBL43455 0.92 ESR2 (0.47) POLBESR2SLC18A3SIGMAR1ESR1
SCHEMBL21538 0.92 ESR2 (0.42) POLBESR2SLC18A3ESR1CYP3A4
SCHEMBL10355051 0.89 SLC18A3 (0.54) SLC18A3SIGMAR1GRIN2BNPC1RAB9A
SCHEMBL2911926 0.89 CYP11B2 (0.42) POLBESR2SLC18A3ESR1CYP3A4
SCHEMBL5543159 0.89 CYP11B2 (0.42) POLBESR2SLC18A3ESR1CYP3A4
SCHEMBL22833 0.89 CYP11B2 (0.42) POLBESR2SLC18A3ESR1CYP3A4
SCHEMBL676555 0.89 CYP11B2 (0.42) POLBESR2SLC18A3ESR1CYP3A4
SCHEMBL1089522 0.87 ESR2 (0.59) POLBESR2SLC18A3SIGMAR1ESR1
SCHEMBL652226 0.87 POLB (0.38) POLBESR2SLC18A3SIGMAR1ESR1

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-1044227-B1 PARTIALLY POLYMERIZED MIXTURE OF DIETHYLENE GLYCOL (ALLYL CARBONATE) COMPOUNDS PPG IND OHIO INC (US) 2004-04-28 EP disclosed
EP-1044228-B1 PROCESS FOR FORMING POLY(ALLYL CARBONATE)-FUNCTIONAL PREPOLYMER COMPOSITION PPG IND OHIO INC (US) 2002-07-10 EP disclosed
US-6057411-A HEATING ALLYL CARBONATE WITH FREE RADICAL INITIATOR FOR POLYMERIZATION PPG INDUSTRIES OHIO, INC. (US) 2000-05-02 US disclosed
US-5952441-A LOW SHRINKAGE IN THE MOLD BY ADDING A PREPOLYMER COMPRISING PARTIAL POLYMERIZED ETHYLENIC DOUBLE BONDS PPG INDUSTRIES OHIO, INC. (US) 1999-09-14 US disclosed