SCHEMBL2087

SCHEMBL2087

Cc1noc(-c2ccc(Br)cc2)c1[C@@H](CO)SCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
LPAR1 Q92633 5/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR2 Q9HBW0 2/20 0.35
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.31
ABCC3 O15438 1/20 0.31
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
ABCB4 P21439 1/20 0.31

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
SCHEMBL6943 1.00 EPHX1 (0.35) EPHX1L3MBTL1SMN1; SMN2RAB9ALMNA
SCHEMBL1307 0.85 EPHX1 (0.41) EPHX1LMNA
SCHEMBL1627 0.85 EPHX1 (0.41) EPHX1LMNA
SCHEMBL7387 0.84 NR1I2 (0.35) L3MBTL1SMN1; SMN2RAB9ALMNALPAR1
SCHEMBL1933 0.81 EPHX1 (0.34) EPHX1L3MBTL1SMN1; SMN2RAB9ALMNA
SCHEMBL6814 0.81 CYP1A2 (0.31) CYP2C9
SCHEMBL2086 0.80 LPAR1 (0.38) L3MBTL1SMN1; SMN2RAB9ALMNALPAR1
SCHEMBL6942 0.80 LPAR1 (0.38) L3MBTL1SMN1; SMN2RAB9ALMNALPAR1
SCHEMBL11802 0.79 CYP1A2 (0.33) SMN1; SMN2RAB9AALDH1A1MAPTNPC1
SCHEMBL1909 0.77 LPAR1 (0.36) L3MBTL1SMN1; SMN2RAB9ALMNALPAR1

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-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed