SCHEMBL9812923

SCHEMBL9812923

O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SRD5A2 P31213 2/20 0.37
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 1/20 0.34
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
TSHR P16473 1/20 0.33
FOLH1 Q04609 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
TTR P02766 1/20 0.32
HPGD P15428 2/20 0.32
EGFR P00533 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
SRD5A1 P18405 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL24959804 0.89 ALDH1A1 (0.45) ALDH1A1TTRHPGDEGFRMAPT
SCHEMBL10882023 0.88 ALDH1A1 (0.38) ALDH1A1SRD5A2TSHRTTRHPGD
SCHEMBL9812955 0.78 SRD5A2 (0.53) ALDH1A1SRD5A2HSD17B1HSD17B2TSHR
SCHEMBL10882071 0.78 MTOR (0.35) ALDH1A1TSHRHPGDTDP1MAPT
SCHEMBL7683262 0.77 MAPT (0.40) ALDH1A1TSHRTTRHPGDMAPT
Hydrochloric Acid SCHEMBL9812926 0.77 SRD5A2 (0.47) SRD5A2TSHRFOLH1RXRARXRB
SCHEMBL1353027 0.76 PTGS2 (0.49) ALDH1A1SRD5A2TTREGFRMAPT
SCHEMBL8207287 0.75 MMP1 (0.49) ALDH1A1SRD5A2MMP2MMP3MAPT
SCHEMBL2964948 0.74 TSHR (0.43) ALDH1A1SRD5A2TSHRMAPT
SCHEMBL4900937 0.74 ALOX15 (0.48) ALDH1A1TTRHPGDMAPTCES2

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