SCHEMBL8316340

SCHEMBL8316340

Nc1cc(N)cc(C(=O)O)c1.O=C(O)c1ccc(C(c2ccc(C(=O)O)c(C(=O)O)c2)(C(F)(F)F)C(F)(F)F)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 2/20 0.37
PTPN1 P18031 2/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
ESR2 Q92731 1/20 0.37
SORT1 Q99523 5/20 0.36
SRD5A2 P31213 1/20 0.36
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
SLC6A2 P23975 2/20 0.35
P2RY14 Q15391 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CYP2C8 P10632 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL29441324 0.86 HSD17B10 (0.50) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL1770132 0.86 HSD17B10 (0.50) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL109108 0.86 HSD17B10 (0.50) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL29401067 0.86 HSD17B10 (0.50) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL9492931 0.86 HSD17B10 (0.50) KDM4EHSD17B10ALDH1A1HPGDTDP1
Aniline SCHEMBL9405526 0.85 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL9687776 0.84 TDP1 (0.54) KDM4EHSD17B10ALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL8507928 0.84 HSD17B10 (0.49) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL5549572 0.84 HSD17B10 (0.49) KDM4EHSD17B10ALDH1A1HPGDTDP1
Water SCHEMBL3223306 0.84 HSD17B10 (0.49) KDM4EHSD17B10ALDH1A1HPGDTDP1

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-5928410-A POROUS POLYIMIDE MEMBRANE; SELECTIVITY TEXACO INC. (US) 1999-07-27 US disclosed