SCHEMBL4580653

SCHEMBL4580653

c1ccc(Cc2cc3ccc2o3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.45
BCL2L1 Q07817 1/20 0.45
GPR55 Q9Y2T6 4/20 0.45
CALM1 P0DP23 1/20 0.42
CTRC Q99895 3/20 0.41
HSD17B3 P37058 1/20 0.41
ALOX5 P09917 1/20 0.40
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL23023160 0.75 GAA (0.53) HTR2AMEN1KMT2A
SCHEMBL160386 0.75 BCL2 (0.48) BCL2BCL2L1GPR55CALM1CTRC
SCHEMBL5482676 0.70 BCL2 (0.71) BCL2BCL2L1CALM1ALOX5HTR2A
SCHEMBL27740056 0.69 CALM1 (0.55) BCL2BCL2L1CALM1CTRCALOX5
SCHEMBL8846780 0.68 GPR55 (0.43) BCL2BCL2L1GPR55CALM1CTRC
SCHEMBL972711 0.67 CALM1 (0.69) BCL2BCL2L1CALM1ALOX5HTR2A
SCHEMBL27532956 0.67 CALM1 (0.52) BCL2BCL2L1GPR55CALM1CTRC
SCHEMBL29557236 0.67 HTR2C (0.31) ALOX5ALDH1A1
SCHEMBL29924271 0.67 HSD17B3 (0.38) HSD17B3ALOX5ALDH1A1HPGDMEN1
SCHEMBL6229874 0.66 CALM1 (0.58) BCL2BCL2L1CALM1ALOX5HTR2A

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
US-20080312349-A1 METHOD OF MAKING AND USING MEMBRANE GENERAL ELECTRIC COMPANY (US) 2008-12-18 US disclosed
US-20080203012-A1 MEMBRANE, APPARATUS, AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
WO-2008103599-A2 COMPOSITION, ITS USE IN THE PREPARATION OF MEMBRANES, AND SYSTEMS COMPRISING THE MEMBRANES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-08-28 WO disclosed
EP-0530572-B1 Thermooxidation resistant thermoplastic moulding masses BASF AG (DE) 1997-04-02 EP disclosed