SCHEMBL9033508

SCHEMBL9033508

O=C(O)C(=CNc1ccc(Cl)c(F)c1CCO)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL9031600 0.78 — —
SCHEMBL9456702 0.72 GPR17 (0.30) GPR17
SCHEMBL11804826 0.67 LMNA (0.52) ALDH1A1MAPTHPGD
SCHEMBL21355814 0.67 TAAR1 (0.38) GPR17ALDH1A1
SCHEMBL9031776 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9097525 0.66 ALDH1A1 (0.41) ALDH1A1
SCHEMBL2560589 0.66 ALDH1A1 (0.54) TRPV1ALDH1A1MAPTHPGD
SCHEMBL9032233 0.65 MAP4K1 (0.33) GPR17ALDH1A1
SCHEMBL21356261 0.65 TAAR1 (0.32) GPR17ALDH1A1
SCHEMBL29384390 0.65 TAAR1 (0.32) GPR17ALDH1A1

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-0470578-B1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KK (JP) 1996-11-06 — — EP disclosed
US-5399553-A Oral absorbability WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-03-21 — — US disclosed
US-5254685-A Tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-10-19 — — US disclosed
EP-0470578-A1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-02-12 — — EP disclosed
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