SCHEMBL8399376

SCHEMBL8399376

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
ACP3 P15309 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
IDO1 P14902 2/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SRR Q9GZT4 1/20 0.37
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL3713615 0.81 SIGMAR1 (0.47) SIGMAR1ACP3SMN1; SMN2ADH1BADH1C
SCHEMBL7275121 0.81 SIGMAR1 (0.43) SIGMAR1ACP3SMN1; SMN2ADH1BADH1C
SCHEMBL7275120 0.81 SIGMAR1 (0.43) SIGMAR1ACP3SMN1; SMN2ADH1BADH1C
SCHEMBL11541322 0.80 SIGMAR1 (0.39) SIGMAR1ACP3SMN1; SMN2ADH1BADH1C
SCHEMBL6601685 0.79 SIGMAR1 (0.49) SIGMAR1ACP3SMN1; SMN2POLBMEN1
SCHEMBL6601690 0.79 SIGMAR1 (0.49) SIGMAR1ACP3SMN1; SMN2POLBMEN1
SCHEMBL8399378 0.79 GAA (0.44) SIGMAR1ACP3SMN1; SMN2IDO1THRB
SCHEMBL7346313 0.73 SIGMAR1 (0.55) SIGMAR1ACP3SMN1; SMN2POLBMEN1
SCHEMBL7746605 0.73 SIGMAR1 (0.55) SIGMAR1ACP3SMN1; SMN2POLBMEN1
SCHEMBL9787793 0.69 CTRB1 (0.52) SMN1; SMN2ATM

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