SCHEMBL7202272

SCHEMBL7202272

CSc1ccc(C(=O)CC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.50
PLK1 P53350 1/20 0.47
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
FLI1 Q01543 1/20 0.40
EWSR1 Q01844 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL457696 0.85 HAO1 (0.44) HAO1PLK1MMP2MMP9MMP8
SCHEMBL396689 0.84 PTPN1 (0.48) ALDH1A1SMN1; SMN2MAPK1GAAMEN1
SCHEMBL4032443 0.79 PLOD2 (0.64) HAO1PLK1MMP2MMP9MMP8
SCHEMBL20202561 0.79 GSK3B (0.55) ALDH1A1SMN1; SMN2GAAMEN1LMNA
SCHEMBL21758947 0.77 EPHX2 (0.49) HAO1PLK1MMP2MMP9MMP8
SCHEMBL5312596 0.77 HAO1 (0.46) HAO1PLK1MMP2MMP9MMP8
SCHEMBL275400 0.76 HAO1 (0.56) HAO1PLK1MMP2MMP9MMP8
SCHEMBL6302968 0.76 HAO1 (0.56) HAO1PLK1MMP2MMP9MMP8
SCHEMBL2074862 0.76 PLOD2 (0.60) SMN1; SMN2MEN1MAPTRAB9AKMT2A
SCHEMBL28729892 0.76 RAB9A (0.58) ALDH1A1SMN1; SMN2MAPK1MEN1LMNA

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
US-6596445-B1 Initiators for photopolymerization of radically polymerizable compounds CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-22 US disclosed