SCHEMBL29619797

SCHEMBL29619797

O=C(NC(Cc1cccc(F)c1)C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.58
GPR132 Q9UNW8 1/20 0.54
ROCK1 Q13464 1/20 0.53
PTPN1 P18031 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
CTSL P07711 4/20 0.50
CA2 P00918 3/20 0.50
ACE P12821 2/20 0.50
CA1 P00915 1/20 0.50
KIFC1 Q9BW19 2/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
PPARG P37231 1/20 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
SCHEMBL16452954 1.00 FPR2 (0.58) FPR2GPR132ROCK1PTPN1MRGPRX4
SCHEMBL29619805 1.00 FPR2 (0.58) FPR2GPR132ROCK1PTPN1MRGPRX4
SCHEMBL8513782 0.87 FPR2 (0.70) FPR2GPR132PTPN1MRGPRX4CTSL
SCHEMBL8513785 0.87 FPR2 (0.70) FPR2GPR132PTPN1MRGPRX4CTSL
SCHEMBL21623655 0.83 CTSL (0.59) FPR2GPR132PTPN1MRGPRX4CTSL
SCHEMBL5926306 0.81 KIFC1 (0.49) GPR132ROCK1MRGPRX4KIFC1PPARG
SCHEMBL5926493 0.81 PTPN1 (0.62) FPR2GPR132PTPN1CTSLCA2
SCHEMBL3991795 0.81 PTPN1 (0.62) FPR2GPR132PTPN1CTSLCA2
SCHEMBL23279720 0.81 CTSL (0.57) GPR132CTSLACECTSBCTSS
SCHEMBL23279723 0.81 CTSL (0.57) GPR132CTSLACECTSBCTSS

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-4263826-A2 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A DSM Austria GmbH (AT) 2023-10-25 EP disclosed
WO-2022129517-A2 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A ERBER AKTIENGESELLSCHAFT (AT) 2022-06-23 WO disclosed
CN-114645037-A Means and methods for detoxification of ochratoxin A 艾尔柏股份公司 2022-06-21 CN disclosed