SCHEMBL8250085

SCHEMBL8250085

COC(=O)C1CCC(C(=O)Nc2sc(C)cc2C(=O)NCc2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.45
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7429703 0.90 MMP13 (0.43) REV1LMNAALDH1A1MAPTKDM4E
SCHEMBL8207368 0.90 REV1 (0.47) REV1LMNAALDH1A1MAPTPOLB
SCHEMBL8212994 0.89 POLB (0.54) REV1LMNAALDH1A1MAPTPOLB
SCHEMBL8207562 0.89 ALDH1A1 (0.43) LMNAALDH1A1MAPTPOLBGAA
Bicarbonate SCHEMBL7429705 0.87 SMN1; SMN2 (0.45) REV1LMNAALDH1A1MAPTPOLB
SCHEMBL8206305 0.87 NPC1 (0.48) REV1LMNAALDH1A1MAPTPOLB
SCHEMBL8200143 0.84 PKM (0.52) LMNAMAPTPOLBKDM4ESMN1; SMN2
SCHEMBL8207597 0.84 LMNA (0.45) REV1LMNAMAPTPOLBGAA
SCHEMBL8206201 0.82 MAPT (0.46) REV1LMNAALDH1A1MAPTPOLB
SCHEMBL7890839 0.81 ALDH1A1 (0.45) REV1LMNAALDH1A1MAPTPOLB

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-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed