SCHEMBL9687776

SCHEMBL9687776

O=C(O)c1ccc(C(c2ccc(C(=O)O)c(C(=O)O)c2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
SRD5A2 P31213 4/20 0.47
CYP2C8 P10632 1/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 1/20 0.44
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APEX1 P27695 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 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
SCHEMBL9492931 0.91 HSD17B10 (0.50) TDP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL29401067 0.91 HSD17B10 (0.50) TDP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL29441324 0.91 HSD17B10 (0.50) TDP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1770132 0.91 HSD17B10 (0.50) TDP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL109108 0.91 HSD17B10 (0.50) TDP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5549572 0.90 HSD17B10 (0.49) TDP1KDM4EHSD17B10ALDH1A1HPGD
Water SCHEMBL3223306 0.90 HSD17B10 (0.49) TDP1KDM4EHSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8507928 0.90 HSD17B10 (0.49) TDP1KDM4EHSD17B10ALDH1A1HPGD
Water SCHEMBL4580188 0.90 HSD17B10 (0.49) TDP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL25933610 0.87 CES2 (0.51) TDP1SRD5A2CYP2C8KDM4EHSD17B10

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-5120825-A Heat resistant hybrid HOECHST CELANESE CORP. (US) 1992-06-09 US disclosed