SCHEMBL6880968

SCHEMBL6880968

O=C(O)C(Cc1ccc(C(F)(F)F)cc1)(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
PDPK1 O15530 1/20 0.46
SRD5A2 P31213 1/20 0.45
PTPN1 P18031 2/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
FAAH O00519 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK14 Q16539 1/20 0.43
KIF11 P52732 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CNR2 P34972 1/20 0.43
HSD11B1 P28845 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 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
SCHEMBL329090 0.85 HIF1A (0.55) ALDH1A1TSHRKIF11SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL11525221 0.83 HIF1A (0.53) ALDH1A1TSHRKIF11SMN1; SMN2HIF1A
SCHEMBL29009993 0.78 SRD5A2 (0.50) PDPK1SRD5A2PTPN1PLAAT3PLAAT5
SCHEMBL15658852 0.75 PPARA (0.55) SRD5A2PTPN1PPARAPSEN1PSEN2
SCHEMBL11491492 0.75 SMN1; SMN2 (0.48) ALDH1A1TSHRKIF11PPARGPPARA
SCHEMBL5161111 0.73 CNR2 (0.58) ALDH1A1TSHRPDPK1SRD5A2PTPN1
SCHEMBL9355157 0.72 SMN1; SMN2 (0.46) ALDH1A1TSHRPTPN1KIF11SMN1; SMN2
SCHEMBL28527690 0.72 MAPK14 (0.50) ALDH1A1TSHRPDPK1SRD5A2PLAAT3
SCHEMBL23137094 0.72 MTOR (0.45) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL28960373 0.72 CYP2C9 (0.64) ALDH1A1TSHRSRD5A2NPC1RAB9A

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
EP-1042372-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP claimed