SCHEMBL9469062

SCHEMBL9469062

COC(=O)CCCOc1ccccc1/C=C/I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
NFE2L2 Q16236 2/20 0.48
PPARG P37231 5/20 0.47
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
PPARA Q07869 3/20 0.43
TFEB P19484 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
ADRB2 P07550 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9469063 1.00 MAPT (0.49) MAPTNFE2L2PPARGCNR2CNR1
SCHEMBL9469148 0.86 LMNA (0.53) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL9469150 0.86 LMNA (0.53) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL9469663 0.86 LMNA (0.53) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL9470018 0.83 PTGDR2 (0.49) PPARALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL9470013 0.83 PTGDR2 (0.49) PPARALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL9470150 0.82 LMNA (0.52) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL9470154 0.82 LMNA (0.52) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL9469123 0.80 MAPT (0.52) MAPTPPARGCNR2CNR1PPARA
SCHEMBL5318251 0.80 LMNA (0.65) MAPTPPARGCNR2CNR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183925-A LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed