SCHEMBL9752047

SCHEMBL9752047

Cc1cc(C(=O)c2ccc(C(=O)O)cc2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 8/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
HSD17B1 P14061 4/20 0.55
HSD17B2 P37059 4/20 0.55
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
PTGS2 P35354 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL11053174 0.92 HTT (0.64) SMN1; SMN2HTTHSD17B1HSD17B2POLB
SCHEMBL31621156 0.90 HTT (0.61) SMN1; SMN2HTTHSD17B1HSD17B2POLB
SCHEMBL1758239 0.90 HTT (0.61) SMN1; SMN2HTTHSD17B1HSD17B2POLB
SCHEMBL5962849 0.89 HSD17B1 (0.64) SRD5A2SMN1; SMN2HTTHSD17B1HSD17B2
SCHEMBL172420 0.88 CA12 (0.64) SMN1; SMN2HTTKDM4ECA12CA1
SCHEMBL29979976 0.88 CA12 (0.64) SMN1; SMN2HTTKDM4ECA12CA1
SCHEMBL9752049 0.87 HSD17B1 (0.59) SRD5A2SMN1; SMN2HTTHSD17B1HSD17B2
SCHEMBL1758781 0.86 HTT (0.75) SRD5A2SMN1; SMN2HTTHSD17B1HSD17B2
SCHEMBL31574429 0.86 HTT (0.57) SMN1; SMN2HTTHSD17B1HSD17B2POLB
Paraben SCHEMBL8851014 0.85 CA12 (0.61) SRD5A2SMN1; SMN2HTTKDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3014619-A None JP disclosed
JP-H0314619-A FILAMENT OF OPTICALLY ANISOTROPIC MELT-FORMING COPOLYESTER E I DU PONT DE NEMOURS & CO 1991-01-23 JP disclosed
EP-0069587-B1 OPTICALLY ANISOTROPIC MELT FORMING POLYESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-22 EP disclosed
EP-0069587-A1 Optically anisotropic melt forming polyesters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-12 EP disclosed
US-4335232-A AROMATIC POLYESTER-POLYLACTONE COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-06-15 US disclosed