SCHEMBL9912420

SCHEMBL9912420

Cc1ccc(OCC(=O)O)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.61
PTGDR2 Q9Y5Y4 3/20 0.60
MRGPRX4 Q96LA9 1/20 0.56
PKM P14618 1/20 0.53
KDM4E B2RXH2 1/20 0.52
PPARD Q03181 5/20 0.52
PPARG P37231 3/20 0.50
PPARA Q07869 2/20 0.48

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
SCHEMBL765038 0.86 PTGDR2 (0.56) FFAR1PTGDR2PKMKDM4E
SCHEMBL12667947 0.85 FFAR1 (0.60) FFAR1PTGDR2MRGPRX4PPARDPPARG
SCHEMBL320418 0.84 PTGDR2 (0.66) FFAR1PTGDR2PKMKDM4E
SCHEMBL14066214 0.83 PTGDR2 (0.60) PTGDR2PKMKDM4E
SCHEMBL2113005 0.82 PTGDR2 (0.64) PTGDR2MRGPRX4KDM4EPPARDPPARG
SCHEMBL2949180 0.82 PKM (0.70) FFAR1PTGDR2PKMPPARDPPARG
SCHEMBL29951797 0.81 PTGDR2 (0.69) PTGDR2KDM4E
SCHEMBL2717225 0.81 PTGDR2 (0.62) FFAR1PTGDR2PKMKDM4E
SCHEMBL14273072 0.80 PTGDR2 (0.57) FFAR1PTGDR2PKMKDM4E
SCHEMBL5533467 0.80 FFAR1 (0.52) FFAR1PTGDR2PKMPPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed