SCHEMBL30671435

SCHEMBL30671435

CCOC(=O)C[C@H](N)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 5/20 0.45
▸ SLC13A5 Q86YT5 1/20 0.42
▸ DHODH Q02127 3/20 0.41
▸ MME P08473 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ SLC5A1 P13866 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39

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
SCHEMBL28372595 0.88 AKR1C3 (0.43) CTSADHODHFFAR1RXRARXRB
SCHEMBL30541447 0.88 AKR1C3 (0.43) CTSADHODHFFAR1RXRARXRB
SCHEMBL20545597 0.87 CTSA (0.52) CTSASLC13A5DHODHMMEFFAR1
SCHEMBL20545598 0.87 CTSA (0.52) CTSASLC13A5DHODHMMEFFAR1
SCHEMBL30671377 0.86 CTSA (0.48) CTSASLC13A5MMEPOLBFFAR1
SCHEMBL28368304 0.84 CTSA (0.39) CTSA
SCHEMBL28373927 0.84 ACLY (0.44) DHODHFFAR1RXRARXRB
SCHEMBL30541328 0.84 ACLY (0.44) DHODHFFAR1RXRARXRB
SCHEMBL30671485 0.83 CTSA (0.55) CTSASLC13A5DHODHMMEPOLB
SCHEMBL30541479 0.82 CTSA (0.45) CTSASLC13A5DHODHMMEPOLB

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-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 — — EP disclosed
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