SCHEMBL10657138

SCHEMBL10657138

CCCCc1ccc(-c2ccc(OC(=O)C(Cl)CC(C)C)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.56
MAPT P10636 6/20 0.56
RAB9A P51151 9/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
NPC1 O15118 8/20 0.51
NFKB1 P19838 5/20 0.51
NFKB2 Q00653 4/20 0.51
RELA Q04206 4/20 0.51
THRB P10828 2/20 0.51
MAPK1 P28482 2/20 0.50
STAT3 P40763 1/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
TP53 P04637 3/20 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
SCHEMBL10656527 0.96 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10660162 0.96 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10656239 0.96 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10658667 0.96 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10656327 0.96 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10658786 0.96 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL9281444 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL10461391 0.83 SMN1; SMN2 (0.61) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL9857972 0.83 SMN1; SMN2 (0.61) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3
SCHEMBL9282873 0.81 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9AL3MBTL1CASP3

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-0257048-A1 OPTICALLY ACTIVE COMPOUNDS. MERCK PATENT GMBH (DE) 1988-03-02 EP disclosed
WO-1987005018-A2 OPTICALLY ACTIVE COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-08-27 WO disclosed