SCHEMBL18754180

SCHEMBL18754180

COc1ccc([S+](C)[O-])cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TUBB1 Q9H4B7 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL1933232 0.85 MAPT (0.45) ALDH1A1MAPTPOLBPTGS2L3MBTL1
SCHEMBL7322411 0.82 CA2 (0.46) ALDH1A1TUBB1CYP1A2CYP2C19LMNA
SCHEMBL7322406 0.82 CA2 (0.46) ALDH1A1TUBB1CYP1A2CYP2C19LMNA
SCHEMBL19931120 0.80 ALDH1A1 (0.42) ALDH1A1TUBB1CYP1A2CYP2D6HPGD
SCHEMBL14137007 0.78 ACHE (0.39) ALDH1A1LMNAMAPTMAPK1KDM4E
SCHEMBL19931525 0.76 ALDH1A1 (0.42) ALDH1A1TUBB1CYP1A2CYP2D6HPGD
SCHEMBL6996590 0.75 ALDH1A1 (0.47) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL20780326 0.74 ALDH1A1 (0.42) ALDH1A1CYP2D6KMT2AMEN1MAPT
SCHEMBL21648866 0.74 RIPK1 (0.36) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL23624947 0.73 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTPOLB

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-2978754-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-10 EP disclosed
EP-2978747-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-04-19 EP disclosed