SCHEMBL8399378

SCHEMBL8399378

O=[C][C@H](CC(=O)O)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43
ACP3 P15309 3/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEP1B Q16820 2/20 0.40
MCL1 Q07820 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.39
IDO1 P14902 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
SCHEMBL2129593 0.85 CTSC (0.48) GAAMAPTCPA1CPB1CPA3
SCHEMBL17328999 0.85 LMNA (0.52) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7275120 0.79 SIGMAR1 (0.43) CPA3ACP3SMN1; SMN2SIGMAR1THRB
SCHEMBL3713615 0.79 SIGMAR1 (0.47) MAPTACP3SMN1; SMN2SIGMAR1MCL1
SCHEMBL8399376 0.79 SIGMAR1 (0.43) MAPTACP3SMN1; SMN2SIGMAR1THRB
SCHEMBL7275121 0.79 SIGMAR1 (0.43) CPA3ACP3SMN1; SMN2SIGMAR1THRB
SCHEMBL6601685 0.76 SIGMAR1 (0.49) GAAMAPTACP3ALDH1A1SMN1; SMN2
SCHEMBL6601690 0.76 SIGMAR1 (0.49) GAAMAPTACP3ALDH1A1SMN1; SMN2
SCHEMBL7211198 0.75 PPID (0.46) GAAMAPTSMN1; SMN2LMNAMCL1
SCHEMBL60484 0.75 GAA (0.62) GAAMAPTCPA1CPB1CPA3

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-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed