SCHEMBL9812955

SCHEMBL9812955

O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.53
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 1/20 0.49
ADH5 P11766 2/20 0.46
TNKS2 Q9H2K2 1/20 0.41
TSHR P16473 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
FASN P49327 2/20 0.39
MARS1 P56192 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36

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
SCHEMBL23484573 0.92 SRD5A2 (0.58) SRD5A2HSD17B1HSD17B2ADH5TNKS2
SCHEMBL6207095 0.89 SRD5A2 (0.50) SRD5A2HSD17B1HSD17B2ADH5TSHR
SCHEMBL4300785 0.89 SRD5A2 (0.68) SRD5A2HSD17B1HSD17B2TSHRMARS1
SCHEMBL9812968 0.87 TSHR (0.46) SRD5A2HSD17B1HSD17B2TSHRESR1
SCHEMBL5924802 0.80 CYP2A6 (0.56) SRD5A2HSD17B1HSD17B2ALDH1A1KDM4E
SCHEMBL6253145 0.80 SRD5A2 (0.72) SRD5A2HSD17B1HSD17B2ADH5TNKS2
SCHEMBL5095111 0.79 SRD5A2 (0.56) SRD5A2MARS1KDM4ENPC1CRHBP
SCHEMBL9812923 0.78 ALDH1A1 (0.37) SRD5A2HSD17B1HSD17B2TSHRALDH1A1
SCHEMBL11585221 0.78 HSD17B1 (0.54) SRD5A2HSD17B1HSD17B2ADH5TNKS2
Hydrochloric Acid SCHEMBL9812960 0.78 SRD5A2 (0.70) SRD5A2HSD17B1HSD17B2ADH5TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113252-B1 PROCESS FOR PRODUCING BLOCK COPOLYAMIDE TORAY INDUSTRIES, INC. (JP) 1991-08-07 EP disclosed
US-4507465-A IMPACT STRENGTH TORAY INDUSTRIES, INC. (JP) 1985-03-26 US disclosed
EP-0113252-A2 Process for producing block copolyamide TORAY INDUSTRIES, INC. (JP) 1984-07-11 EP disclosed