SCHEMBL8694072

SCHEMBL8694072

C[C@@H](NCc1ccc(Oc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
CASR P41180 4/20 0.61
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACACB O00763 2/20 0.47
ACACA Q13085 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
SMPD1 P17405 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46

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
SCHEMBL8499037 1.00 SMN1; SMN2 (0.66) SMN1; SMN2CASRMEN1KMT2AL3MBTL1
SCHEMBL8807883 0.91 SMN1; SMN2 (0.59) SMN1; SMN2CASRMEN1KMT2AL3MBTL1
SCHEMBL8808116 0.91 SMN1; SMN2 (0.59) SMN1; SMN2CASRMEN1KMT2AL3MBTL1
SCHEMBL14469578 0.88 SMN1; SMN2 (0.82) SMN1; SMN2CASRMEN1KMT2AHTT
SCHEMBL6142841 0.87 CASR (0.75) SMN1; SMN2CASRMEN1KMT2AL3MBTL1
SCHEMBL1162780 0.87 CASR (0.75) SMN1; SMN2CASRMEN1KMT2AL3MBTL1
SCHEMBL14438287 0.84 LTA4H (0.50) SMN1; SMN2CASRMEN1KMT2AL3MBTL1
SCHEMBL29560 0.84 SMN1; SMN2 (0.76) SMN1; SMN2CASRMEN1KMT2AHTT
SCHEMBL774613 0.84 SMN1; SMN2 (0.76) SMN1; SMN2CASRMEN1KMT2AHTT
SCHEMBL79765 0.84 SMN1; SMN2 (0.76) SMN1; SMN2CASRMEN1KMT2AHTT

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
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
US-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 US disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 EP disclosed
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 WO disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 WO disclosed