SCHEMBL9710346

SCHEMBL9710346

C=CCCCCCCOc1ccc(I)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LPAR3 Q9UBY5 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33
EGFR P00533 1/20 0.32
F2 P00734 1/20 0.31
PLAU P00749 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ESR1 P03372 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 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
SCHEMBL9710358 0.79 THRA (0.43) ALDH1A1L3MBTL1HPGDESR1CDK1
SCHEMBL9706404 0.79 THRA (0.43) ALDH1A1L3MBTL1HPGDESR1CDK1
SCHEMBL9706437 0.79 THRA (0.43) ALDH1A1L3MBTL1HPGDESR1CDK1
SCHEMBL9317819 0.79 THRA (0.43) ALDH1A1L3MBTL1HPGDESR1CDK1
SCHEMBL9710301 0.79 THRA (0.43) ALDH1A1L3MBTL1HPGDESR1CDK1
SCHEMBL9710261 0.78 ALDH1A1 (0.33) ALDH1A1L3MBTL1USP2HPGDTDP1
SCHEMBL9710295 0.76 L3MBTL1 (0.42) ALDH1A1L3MBTL1USP2HPGDTDP1
SCHEMBL9699978 0.76 L3MBTL1 (0.42) ALDH1A1L3MBTL1USP2HPGDTDP1
SCHEMBL1512654 0.76 ALDH1A1 (0.41) ALDH1A1L3MBTL1HPGDKDM4EESR1
SCHEMBL28427120 0.75 CYP1A2 (0.42) L3MBTL1TDP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed