SCHEMBL2636022

SCHEMBL2636022

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OCCc4ccc(C)cc4)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.51
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
ABCB4 P21439 1/20 0.51
ABCC2 Q92887 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
OPRM1 P35372 3/20 0.41
LPAR3 Q9UBY5 3/20 0.40
LPAR2 Q9HBW0 2/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNA3 P22001 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7596 0.93 LPAR1 (0.57) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636506 0.92 LPAR1 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635443 0.91 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635725 0.91 LPAR1 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635872 0.91 LPAR1 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635814 0.90 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635978 0.90 LPAR1 (0.50) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635988 0.90 LPAR1 (0.53) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636000 0.89 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761309 0.89 LPAR1 (0.59) LPAR1ABCC3ABCC4ABCB11CYP2C8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed