SCHEMBL7940360

SCHEMBL7940360

CCCCc1ccc(CS[C@]2(C(=O)OC(=O)[C@H](C)CS)CCCN2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NAAA Q02083 1/20 0.31
ASAH1 Q13510 1/20 0.31
SPHK1 Q9NYA1 2/20 0.30
SPHK2 Q9NRA0 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5698147 0.82 ACE (0.39) ACEALDH1A1
SCHEMBL5698066 0.75 ALDH1A1 (0.43) ALDH1A1SPHK1SPHK2MAPT
SCHEMBL11228772 0.65 SLC6A2 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL28911976 0.59 SPHK1 (0.53) ACENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7200882 0.58 HRH3 (0.48) SMN1; SMN2ALDH1A1HPGDHSD17B10SPHK1
SCHEMBL7454243 0.57 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL11616221 0.56 ESR1 (0.46) ALDH1A1HSD17B10SPHK1SPHK2
SCHEMBL18113297 0.56 RARB (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL24295037 0.55 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL26770766 0.55 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10NAAAASAH1

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
US-6242476-B1 Leukotriene A4 hydrolase inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US claimed
US-6242476-B1 Leukotriene A4 hydrolase inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed