SCHEMBL7534

SCHEMBL7534

Cc1noc(-c2ccc(-c3ccc(C4(CC(=O)O)CC4)cc3)cc2)c1N(C)CCCCO

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 1/20 0.33
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ABCB4 P21439 1/20 0.33
LPAR1 Q92633 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL6916 0.88 BRD4 (0.33) L3MBTL1HSD11B1ABCC3ABCC4ABCB11
SCHEMBL7415 0.86 LPAR1 (0.46) HSD11B1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7148 0.85 ALDH1A1 (0.38) LPAR1ALDH1A1TSHRMAPT
SCHEMBL7234 0.85 LPAR1 (0.34) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL6613 0.84 FFAR4 (0.35) HSD11B1LPAR1
SCHEMBL6150 0.82 BRD4 (0.36) HSD11B1ALDH1A1
SCHEMBL7297 0.82 SCD5 (0.35) HSD11B1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7294 0.82 P2RX7 (0.36) L3MBTL1HSD11B1LPAR1MAPTSMN1; SMN2
SCHEMBL7026 0.82 AOC3 (0.37) L3MBTL1HSD11B1
SCHEMBL6605 0.82 ABCC3 (0.38) ABCC3ABCC4ABCB11CYP2C8CYP2C9

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 claimed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
EP-2483252-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