SCHEMBL18597716

SCHEMBL18597716

Cc1noc(-c2ccc(-c3ccc(CCC(=O)O)cc3)cc2)c1CCSCc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.48
▸ FFAR4 Q5NUL3 3/20 0.48
▸ PTGER1 P34995 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 2/20 0.39
▸ RXRG P48443 2/20 0.39
▸ LPAR1 Q92633 1/20 0.39
▸ LPAR2 Q9HBW0 1/20 0.39
▸ LPAR3 Q9UBY5 1/20 0.39
▸ SLC13A5 Q86YT5 1/20 0.38
▸ EPHX1 P07099 1/20 0.38

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
SCHEMBL18597914 0.90 THRB (0.39) FFAR1FFAR4THRBEPHX1
SCHEMBL18597930 0.87 PTGER1 (0.54) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL7136 0.85 FFAR1 (0.43) FFAR1FFAR4THRATHRBPPARG
SCHEMBL18597928 0.84 LMNA (0.41) EPHX1
SCHEMBL7135 0.84 FFAR1 (0.46) FFAR1FFAR4THRATHRBPPARG
SCHEMBL7260 0.83 PTGER1 (0.50) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL6615 0.80 FFAR1 (0.50) FFAR1FFAR4THRATHRBPPARG
SCHEMBL18597994 0.78 LPAR1 (0.48) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL18597925 0.77 LPAR1 (0.43) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL14570 0.77 FFAR1 (0.47) FFAR1FFAR4PTGER1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 — — EP disclosed
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