SCHEMBL28320251

SCHEMBL28320251

CC(Cc1ccccc1)C(=O)Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.54
ACACB O00763 1/20 0.46
PPARG P37231 3/20 0.44
EPHX1 P07099 2/20 0.44
SERPINE1 P05121 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
PPARA Q07869 2/20 0.43
GRIN2B Q13224 1/20 0.43
EPHX2 P34913 1/20 0.43
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
PLA2G5 P39877 1/20 0.43
ELANE P08246 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4197351 0.85 HSD17B10 (0.50) PPARGCYP3A4TSHRPPARAELANE
SCHEMBL8670930 0.82 TSHR (0.49) PPARGCYP3A4TSHRPPARAELANE
SCHEMBL15569323 0.81 ACACB (0.54) FPR2ACACBPPARGEPHX1PPARA
SCHEMBL24915125 0.81 ACACB (0.54) FPR2ACACBPPARGEPHX1PPARA
SCHEMBL934005 0.77 EPHX1 (0.60) FPR2ACACBPPARGEPHX1PPARA
SCHEMBL11432413 0.75 NPC1 (0.47) CYP3A4TSHRELANEALDH1A1THRB
SCHEMBL18256348 0.74 LTA4H (0.51) FPR2ACACBPPARGEPHX1SERPINE1
SCHEMBL20850495 0.74 PPARG (0.47) FPR2PPARGEPHX1SERPINE1MRGPRX4
SCHEMBL31177328 0.73 PTPN1 (0.54) FPR2ACACBEPHX1SERPINE1MRGPRX4
SCHEMBL3091926 0.72 LDHA (0.61) FPR2ACACBPPARGEPHX1MRGPRX4

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
CN-110167921-A ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS 勃林格殷格翰动物保健美国公司 2019-08-23 CN disclosed