SCHEMBL6926906

SCHEMBL6926906

C#Cc1cc(C(c2ccc(C(=O)O)c(C#C)c2)(C(F)(F)F)C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
CES2 O00748 1/20 0.34
GRIK1 P39086 2/20 0.33
CYP1A2 P05177 2/20 0.33
SORT1 Q99523 2/20 0.33
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5666966 0.80 TDP1 (0.41) MRGPRX4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1770132 0.79 HSD17B10 (0.50) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL29401067 0.79 HSD17B10 (0.50) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL29441324 0.79 HSD17B10 (0.50) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL109108 0.79 HSD17B10 (0.50) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL9492931 0.79 HSD17B10 (0.50) ALDH1A1HPGDKDM4EHSD17B10USP2
Water SCHEMBL3223306 0.78 HSD17B10 (0.49) ALDH1A1HPGDKDM4EHSD17B10USP2
Hydrochloric Acid SCHEMBL8507928 0.78 HSD17B10 (0.49) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL5549572 0.78 HSD17B10 (0.49) ALDH1A1HPGDKDM4EHSD17B10USP2
Water SCHEMBL4580188 0.78 HSD17B10 (0.49) ALDH1A1HPGDKDM4EHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327653-A1 HEAT-RESISTANT RESIN PRECURSOR, HEAT-RESISTANT RESIN AND INSULATING FILM AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2003-07-16 EP disclosed
US-6518390-B2 Polybenzoxazole and crosslinking agent SUMITOMO BAKELITE COMPANY, LTD. (JP) 2003-02-11 US disclosed
US-20020013443-A1 Precursor of a heat resistant resin, heat resistant resin, insulating film and semiconductor device SUMITOMO BAKELITE CO., LTD. (JP) 2002-01-31 US disclosed