SCHEMBL7974481

SCHEMBL7974481

CC(C)Cc1cc2cc(CC(=O)O)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS1 P23219 3/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 1/20 0.43
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
FFAR1 O14842 8/20 0.42
FFAR4 Q5NUL3 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
GAA P10253 1/20 0.40
PTGS2 P35354 2/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40

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
SCHEMBL12870534 0.83 LOXL2 (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL5974148 0.79 PPARG (0.57) PPARGALDH1A1KDM4EMEN1MAPT
SCHEMBL17316698 0.77 ALDH1A1 (0.62) PPARGALDH1A1KDM4EMEN1MAPT
SCHEMBL28671523 0.74 PPARG (0.61) PPARGALDH1A1KDM4EMEN1MAPT
SCHEMBL7246369 0.74 PPARG (0.61) PPARGALDH1A1KDM4EMEN1MAPT
Ibufenac SCHEMBL24244 0.74 PTGS1 (0.60) ALDH1A1HPGDHSD17B10PTGS1AKR1C3
SCHEMBL27724024 0.74 KDM4E (0.55) PPARGALDH1A1KDM4EMEN1MAPT
SCHEMBL7973131 0.73 PDGFRB (0.56) KDM4EMEN1KMT2AGAACYP2C9
Ibufenac SCHEMBL503595 0.72 PTGS1 (0.58) ALDH1A1HPGDHSD17B10PTGS1AKR1C3
Ibufenac SCHEMBL11571262 0.72 PTGS1 (0.58) ALDH1A1HPGDHSD17B10PTGS1AKR1C3

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
WO-2001090105-A1 ISOTHIAZOLES AS PESTICIDES SYNGENTA LIMITED (GB) 2001-11-29 WO disclosed