SCHEMBL8549320

SCHEMBL8549320

COc1ccc2c(CCC#N)c(C(=O)c3ccc(Cl)cc3)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
CNR1 P21554 1/20 0.46
CASP1 P29466 1/20 0.46
CNR2 P34972 1/20 0.46
CASP7 P55210 1/20 0.46
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 6/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP19A1 P11511 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44

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
SCHEMBL8548674 0.86 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL9000076 0.85 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL8551230 0.85 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL8557763 0.82 ALDH1A1 (0.38) MAPTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL8548975 0.79 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL8546281 0.78 MAPT (0.58) MAPTSMN1; SMN2CYP3A4ALOX15CNR1
SCHEMBL679245 0.72 ALDH1A1 (0.46) MAPTSMN1; SMN2CASP1CASP7ALDH1A1
SCHEMBL27445439 0.72 SMN1; SMN2 (0.43) MAPTSMN1; SMN2CYP3A4ALDH1A1KDM4E
SCHEMBL12013388 0.70 HTT (0.47) MAPTSMN1; SMN2CASP1CASP7ALDH1A1
SCHEMBL9070589 0.69 CA12 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623607-B1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1998-07-15 EP disclosed
US-5504213-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0623607-A1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1994-11-09 EP disclosed