SCHEMBL8094816

SCHEMBL8094816

C[C@@H]1C(=O)N(CC(=O)NCc2ccccc2)[C@H]1[S+](C)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.44
ELANE P08246 2/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL8094808 1.00 NPC1 (0.49) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8094805 1.00 NPC1 (0.49) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8108304 0.84 TRPV1 (0.49) POLBLMNAGAATSHRKMT2A
SCHEMBL8108310 0.84 TRPV1 (0.49) POLBLMNAGAATSHRKMT2A
SCHEMBL8108458 0.84 TRPV1 (0.49) POLBLMNAGAATSHRKMT2A
SCHEMBL8108459 0.84 TRPV1 (0.49) POLBLMNAGAATSHRKMT2A
SCHEMBL8108306 0.84 TRPV1 (0.49) POLBLMNAGAATSHRKMT2A
SCHEMBL8108451 0.78 HTT (0.49) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8108405 0.78 HTT (0.49) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8094760 0.78 HTT (0.49) NPC1RAB9AHTTSMN1; SMN2POLB

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-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US claimed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed