SCHEMBL7437216

SCHEMBL7437216

N=C(NC(=O)OCc1ccccc1)c1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTRB1 P17538 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6945581 0.84 LMNA (0.44) ALDH1A1LMNASMN1; SMN2CTRB1CA12
SCHEMBL5845871 0.82 NR4A1 (0.51) LMNASMN1; SMN2CTRB1CA12CA1
SCHEMBL5730701 0.81 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2CTRB1CA12
SCHEMBL2321117 0.80 LMNA (0.56) ALDH1A1LMNASMN1; SMN2CTRB1CA12
SCHEMBL234454 0.80 LMNA (0.62) ALDH1A1LMNASMN1; SMN2CTRB1CA12
SCHEMBL10942377 0.79 LMNA (0.59) LMNASMN1; SMN2CTRB1CA12CA1
SCHEMBL8407251 0.78 SRD5A2 (0.48) LMNASMN1; SMN2CTRB1TDP1KMT2A
SCHEMBL23815127 0.78 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2CTRB1CA12
SCHEMBL23815128 0.78 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2CTRB1CA12
SCHEMBL7450597 0.78 CTRB1 (0.49) LMNASMN1; SMN2CTRB1CA12CA1

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
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed