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Sugi Predict / Compounds / SCHEMBL19873626

SCHEMBL19873626

SCHEMBL19873626

Cc1cscc1C(C)OC(=O)Nc1cc(Cl)sc1-c1ccc(-c2ccc(C3CC3)cc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.33
▸ ENPP2 Q13822 4/20 0.33
▸ LPAR1 Q92633 5/20 0.33
▸ LPAR3 Q9UBY5 2/20 0.33
▸ MCHR1 Q99705 1/20 0.30
▸ IDO1 P14902 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
SCHEMBL19873583 0.90 LPAR1 (0.34) ENPP2LPAR1LPAR3
SCHEMBL19873585 0.90 LPAR1 (0.34) ENPP2LPAR1LPAR3
SCHEMBL19873652 0.87 LPAR1 (0.36) DGAT1ENPP2LPAR1LPAR3IDO1
SCHEMBL17367452 0.86 LPAR1 (0.34) LPAR1LPAR3
SCHEMBL17216081 0.86 LPAR1 (0.40) LPAR1LPAR3
SCHEMBL19873636 0.86 LPAR1 (0.46) DGAT1LPAR1LPAR3
SCHEMBL19873635 0.86 LPAR1 (0.46) DGAT1LPAR1LPAR3
SCHEMBL19873655 0.84 TACR2 (0.31) ENPP2LPAR1LPAR3MCHR1
SCHEMBL17216065 0.83 OPRM1 (0.33) ENPP2LPAR1LPAR3
SCHEMBL19873550 0.80 LPAR1 (0.34) ENPP2LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3360869-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. UBE INDUSTRIES (JP) 2020-07-29 — — EP claimed
EP-2940013-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2018-02-21 — — EP claimed