SCHEMBL28249149

SCHEMBL28249149

O=C(O)c1cc(C(F)(F)F)ccc1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
PTPN2 P17706 1/20 0.49
PTPN6 P29350 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.47
SORT1 Q99523 3/20 0.47
SRD5A2 P31213 1/20 0.45
TAS2R14 Q9NYV8 2/20 0.45
LIPG Q9Y5X9 2/20 0.45
LIPC P11150 1/20 0.45
HNF4A P41235 1/20 0.44
CDK2 P24941 1/20 0.44
CES2 O00748 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL11544373 0.82 ANO1 (0.46) SORT1MEN1MAPTKMT2A
SCHEMBL11826642 0.81 SRD5A2 (0.49) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL8477461 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10SORT1
SCHEMBL24908522 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10SORT1
SCHEMBL8477458 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10SORT1
SCHEMBL2337724 0.79 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10SORT1
SCHEMBL6993058 0.79 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10SORT1
SCHEMBL129393 0.78 P2RX1 (0.60) MAPT
SCHEMBL6441850 0.77 PTPN1 (0.62) PTPN1PTPN2PTPN6ALDH1A1TSHR
SCHEMBL4521739 0.77 TSHR (0.72) PTPN1PTPN2PTPN6KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108752186-B Preparation method of 2-benzyl-5-trifluoromethylbenzoic acid 安徽古尔特科技有限公司 2021-03-19 CN claimed
CN-108752186-A A kind of preparation method of 2- benzyls -5- trifluoromethylbenzoic acids 安徽古尔特科技有限公司 2018-11-06 CN claimed
CN-108752186-B Preparation method of 2-benzyl-5-trifluoromethylbenzoic acid 安徽古尔特科技有限公司 2021-03-19 CN disclosed
CN-108752186-B Preparation method of 2-benzyl-5-trifluoromethylbenzoic acid 安徽古尔特科技有限公司 2021-03-19 CN disclosed
CN-108752186-B Preparation method of 2-benzyl-5-trifluoromethylbenzoic acid 安徽古尔特科技有限公司 2021-03-19 CN disclosed
CN-108752186-A A kind of preparation method of 2- benzyls -5- trifluoromethylbenzoic acids 安徽古尔特科技有限公司 2018-11-06 CN disclosed
CN-108752186-A A kind of preparation method of 2- benzyls -5- trifluoromethylbenzoic acids 安徽古尔特科技有限公司 2018-11-06 CN disclosed
CN-108752186-A A kind of preparation method of 2- benzyls -5- trifluoromethylbenzoic acids 安徽古尔特科技有限公司 2018-11-06 CN disclosed