SCHEMBL7440502

SCHEMBL7440502

CC(C)(C)OC(=O)OC(=O)C(N)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
RECQL P46063 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
MMP8 P22894 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
AKT1 P31749 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC7A5 Q01650 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
SCHEMBL7001330 0.88 MAPT (0.42) SMN1; SMN2HIF1ASLC6A2TAAR1RECQL
SCHEMBL9555264 0.88 SMN1; SMN2 (0.45) SMN1; SMN2HIF1ASLC6A2TAAR1RECQL
SCHEMBL7316106 0.80 SMN1; SMN2 (0.46) SMN1; SMN2HIF1ASLC6A2TAAR1RECQL
SCHEMBL8287363 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1RECQL
SCHEMBL7514054 0.77 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ASLC6A2TAAR1RECQL
SCHEMBL26698268 0.76 CYP1A2 (0.42) HIF1AALDH1A1CYP1A2MAPK1CYP2C19
SCHEMBL1926958 0.76 CYP1A2 (0.42) HIF1AALDH1A1CYP1A2MAPK1CYP2C19
SCHEMBL7813698 0.76 SMN1; SMN2 (0.49) SMN1; SMN2HIF1ASLC6A2TAAR1RECQL
SCHEMBL4937591 0.75 SMN1; SMN2 (0.66) SMN1; SMN2HIF1ASLC6A2TAAR1RECQL
SCHEMBL6464407 0.75 SMN1; SMN2 (0.66) SMN1; SMN2HIF1ASLC6A2TAAR1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 US disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed