SCHEMBL3049045

SCHEMBL3049045

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(C#CCCCC(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
FFAR4 Q5NUL3 4/20 0.33
FFAR1 O14842 3/20 0.33
MMP2 P08253 1/20 0.33
MMP12 P39900 1/20 0.33
PTGS1 P23219 1/20 0.32
EPHX2 P34913 1/20 0.32
PTGS2 P35354 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ALOX5 P09917 1/20 0.30
ALOX5AP P20292 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
SCHEMBL3051292 0.98 HDAC3 (0.36) TRPM8HDAC3HDAC1HDAC2HDAC6
SCHEMBL3044308 0.95 LPAR1 (0.35) TRPM8HDAC3HDAC1HDAC2HDAC6
SCHEMBL3039796 0.85 LPAR1 (0.32) LPAR1LPAR2LPAR3ALOX5ALOX5AP
SCHEMBL2334588 0.85 LPAR1 (0.40) HDAC3HDAC1HDAC2HDAC6LPAR1
SCHEMBL3039743 0.84 LPAR1 (0.30) LPAR1LPAR2LPAR3ACRKDM4E
SCHEMBL2336066 0.83 LPAR1 (0.41) LPAR1LPAR2LPAR3FFAR4FFAR1
SCHEMBL2338262 0.81 LPAR1 (0.50) LPAR1LPAR2LPAR3PTGS1
SCHEMBL2335317 0.81 LPAR1 (0.38) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL3704161 0.79 LPAR1 (0.47) LPAR1LPAR2LPAR3PTGS1ALDH1A1
SCHEMBL2332523 0.79 MAPT (0.40) LPAR1LPAR2LPAR3ACRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011159632-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO claimed
WO-2011159635-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST FOR THE TREATMENT OF DERMAL CONDITIONS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO claimed
WO-2011159632-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2011159633-A1 INHALABLE FORMULATIONS OF LYSOPHOSPHATDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2010068775-A2 ALKYNE ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed