SCHEMBL7016790

SCHEMBL7016790

O=C(O)c1cc2c(cc1C(=O)O)Sc1c(ccc(C(=O)O)c1C(=O)O)S2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 6/20 0.33
TSHR P16473 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 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
SCHEMBL87589 0.86 ALDH1A1 (0.40) HSD17B10CDC25ACDC25BCYP1A2ALDH1A1
SCHEMBL9468883 0.78 ALDH1A1 (0.41) HSD17B10CDC25ACDC25BCYP1A2ALDH1A1
Pyromellitic Acid SCHEMBL19253317 0.71 CYP1A2 (0.52) HSD17B10CDC25ACDC25BCYP1A2ALDH1A1
SCHEMBL29445717 0.68 CYP1A2 (0.61) HSD17B10CDC25ACDC25BCYP1A2ALDH1A1
SCHEMBL1988762 0.68 CYP1A2 (0.61) HSD17B10CDC25ACDC25BCYP1A2ALDH1A1
SCHEMBL22989 0.68 CYP1A2 (0.61) HSD17B10CDC25ACDC25BCYP1A2ALDH1A1
SCHEMBL9585810 0.67 CYP1A2 (0.52) HSD17B10CDC25ACDC25BCYP1A2ALDH1A1
SCHEMBL8879805 0.66 CYP1A2 (0.58) HSD17B10CDC25ACDC25BCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL10351177 0.66 CYP1A2 (0.58) HSD17B10CDC25ACDC25BCYP1A2ALDH1A1
Ammonia Solution, Strong SCHEMBL5023112 0.66 CYP1A2 (0.58) HSD17B10CDC25ACDC25BCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP claimed
CN-109563282-B Medical film and method for producing same, medical coating composition, medical device and method for producing same 三井化学株式会社 2022-04-15 CN disclosed
EP-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP disclosed
US-6107447-A LIQUID CRYSTALLINE POLYMERS HOECHST RESEARCH TECHNOLOGY DEUTCHLAND GMBH & CO. KG (DE) 2000-08-22 US disclosed
EP-0856025-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-08-05 EP disclosed
WO-1997014739-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST RESEARCH & TECHNOLOGY (DE) 1997-04-24 WO disclosed