SCHEMBL11575847

SCHEMBL11575847

COC(=O)c1cc(C(c2ccc(C(=O)O)c(C(=O)OC)c2)(C(F)(F)F)C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.51
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
SORT1 Q99523 8/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL11364438 0.97 CFTR (0.49) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11576610 0.97 CFTR (0.49) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9550350 0.92 CFTR (0.55) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9629692 0.85 CFTR (0.49) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29401067 0.85 HSD17B10 (0.50) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL9492931 0.85 HSD17B10 (0.50) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL29441324 0.85 HSD17B10 (0.50) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL1770132 0.85 HSD17B10 (0.50) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL109108 0.85 HSD17B10 (0.50) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL14331409 0.84 CA12 (0.44) KDM4EALDH1A1HPGDHSD17B10USP2

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-4097456-A Preparation of acetylene-substituted polyimide oligomers and polyimide polymers GULF RESEARCH & DEVELOPMENT COMPANY (US) 1978-06-27 US disclosed