SCHEMBL6817539

SCHEMBL6817539

COC(=O)c1ccc2c(c1)CC(CN)(CC(=O)O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6817230 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL6817608 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL6813871 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL6817338 0.77 USP2 (0.42) ALDH1A1CA2SMN1; SMN2TSHRUSP2
SCHEMBL6822654 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6817588 0.76 LMNA (0.41) ALDH1A1KDM4EGLASMN1; SMN2TSHR
SCHEMBL6817671 0.76 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2TSHRUSP2
SCHEMBL6818153 0.76 TSHR (0.38) ALDH1A1HPGDHSD17B10SMN1; SMN2TSHR
SCHEMBL6813461 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6818072 0.75 USP2 (0.48) ALDH1A1HPGDGAAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180094-B1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2004-07-28 EP claimed
EP-1180094-A1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-20 EP claimed
WO-2000073259-A1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-12-07 WO claimed
EP-1180094-B1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2004-07-28 EP disclosed
EP-1180094-A1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-20 EP disclosed
WO-2000073259-A1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-12-07 WO disclosed