SCHEMBL17320194

SCHEMBL17320194

C=CC(=O)/C=C/c1ccc2cc(C)ccc2c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDR P35968 11/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HSD17B14 Q9BPX1 1/20 0.34

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
SCHEMBL14926741 0.81 ALDH1A1 (0.43) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL12149389 0.68 THRB (0.44) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL14926749 0.67 ALDH1A1 (0.46) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL25199560 0.66 FOS (0.65) ALDH1A1HPGDCYP1B1
SCHEMBL29428457 0.65 MAOA (0.56) GSRKDM4EALDH1A1LMNA
SCHEMBL14525486 0.65 CYP1A2 (0.50) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL765349 0.65 ALDH1A1 (0.59) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL14926742 0.65 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10KDR
SCHEMBL14926738 0.65 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18122591 0.63 THRB (0.49) ALDH1A1LMNA

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-2555046-B1 POLYMER FOR USE IN A LIQUID-CRYSTAL ALIGNMENT LAYER DAINIPPON INK & CHEMICALS (JP) 2015-12-09 EP disclosed