SCHEMBL10353029

SCHEMBL10353029

Cc1cc(C(=O)c2cccc(O)c2)ccc1O

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 13/20 0.79
HSD17B2 P37059 13/20 0.79
FASN P49327 1/20 0.61
HSD17B14 Q9BPX1 1/20 0.59
DYRK1A Q13627 2/20 0.59
DYRK1B Q9Y463 2/20 0.59
CLK1 P49759 1/20 0.59
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
STS P08842 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL31621156 0.87 HTT (0.61) HSD17B1HSD17B2DYRK1ADYRK1BHTT
SCHEMBL1758239 0.87 HTT (0.61) HSD17B1HSD17B2DYRK1ADYRK1BHTT
SCHEMBL15851049 0.86 HSD17B1 (0.60) HSD17B1HSD17B2HTTSMN1; SMN2NPC1
SCHEMBL5962849 0.85 HSD17B1 (0.64) HSD17B1HSD17B2HTTSMN1; SMN2NPC1
SCHEMBL11053174 0.85 HTT (0.64) HSD17B1HSD17B2DYRK1ADYRK1BHTT
SCHEMBL9752049 0.84 HSD17B1 (0.59) HSD17B1HSD17B2HTTSMN1; SMN2NPC1
SCHEMBL19295883 0.84 HSD17B1 (0.58) HSD17B1HSD17B2FASNHSD17B14CA12
SCHEMBL7717186 0.83 FASN (0.72) HSD17B1HSD17B2FASNDYRK1ADYRK1B
SCHEMBL1758781 0.83 HTT (0.75) HSD17B1HSD17B2DYRK1ADYRK1BHTT
SCHEMBL15851044 0.83 HSD17B1 (0.57) HSD17B1HSD17B2HSD17B14HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129395-B1 ANISOTROPIC MELT POLYESTERS OF 6-HYDROXY-2-NAPHTHOIC ACID E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-12 EP disclosed
EP-0169675-B1 OPTICALLY ANISTROPIC MELT FORMING COPOLYESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-09-14 EP disclosed
EP-0129395-A2 Anisotropic melt polyesters of 6-hydroxy-2-naphthoic acid E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-27 EP disclosed
US-4447592-A WITH DIACID AND DIHYDROXY, CARBO KETONE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-08 US disclosed