SCHEMBL11289135

SCHEMBL11289135

Cc1cccc(C)c1N(CC(=O)O)C(=O)CSC(=O)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.37
PTPN1 P18031 1/20 0.37
S1PR4 O95977 1/20 0.36
POLB P06746 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL11499435 0.91 ATM (0.36) OPRM1ATMPTPN1POLBALDH1A1
SCHEMBL11280601 0.87 S1PR4 (0.39) OPRM1KDM4EATMS1PR4POLB
SCHEMBL11287606 0.87 HSD17B10 (0.35) OPRM1KDM4EATMPTPN1POLB
SCHEMBL11337851 0.87 PTPN1 (0.33) OPRM1ATMPTPN1POLBALDH1A1
SCHEMBL11287633 0.81 KMT2A (0.52) OPRM1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL11272650 0.79 ALDH1A1 (0.36) KDM4EATMPOLBALDH1A1MAPT
SCHEMBL11298078 0.77 ALDH1A1 (0.39) OPRM1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL11290774 0.77 ALDH1A1 (0.36) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL11291159 0.76 CTNNB1 (0.40) OPRM1ATMPOLBALDH1A1MAPT
SCHEMBL11294511 0.76 ALDH1A1 (0.33) ALDH1A1MAPTHPGDHSD17B10TDP1

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-0014167-B1 Aniline derivatives with antifungal activity and process for their preparation RHONE-POULENC AGROCHIMIE (FR) 1982-06-30 EP disclosed
EP-0014167-A1 Aniline derivatives with antifungal activity and process for their preparation RHONE-POULENC AGROCHIMIE (FR) 1980-08-06 EP disclosed