SCHEMBL9422611

SCHEMBL9422611

COC(=O)CC1(c2ccc(OCc3nc4ccccc4s3)cc2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
ALOX5 P09917 7/20 0.55
EPHX2 P34913 7/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9125195 0.80 ALOX5AP (0.60) ALOX5
SCHEMBL9122807 0.80 ALOX5AP (0.60) ALOX5
SCHEMBL9123925 0.80 ALOX5AP (0.60) ALOX5
SCHEMBL1745498 0.78 MAPT (0.61) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7544973 0.75 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9564275 0.75 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9422612 0.75 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7541535 0.74 ALDH1A1 (0.80) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8921057 0.74 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7542600 0.74 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6065214-A None JP disclosed
JP-H0665214-A SUBSTITUTED (BENZOTHIAZOLYL-AND QUINOXALYL-METHOXY) PHENYL-ACETIC ACID DERIVATIVES BAYER AG 1994-03-08 JP disclosed