SCHEMBL9157477

SCHEMBL9157477

CC(c1ccccc1)c1cc(O)ccc1O.Oc1cc(CCc2ccccc2)c(O)cc1CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.54
ALOX5 P09917 2/20 0.42
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
HSD17B3 P37058 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL1681823 0.84 TYR (0.73) TYRALOX5ALDH1A1CYP2C9HPGD
Methane SCHEMBL8749792 0.82 TYR (0.71) TYRALOX5ALDH1A1CYP2C9HPGD
SCHEMBL9157459 0.81 TYR (0.74) TYRALOX5ALDH1A1CYP1A2CYP3A4
SCHEMBL9157462 0.78 TYR (0.47) TYRHSD17B3
SCHEMBL1426624 0.76 EGFR (0.60) TYRALOX5ALDH1A1TP53CYP1A2
SCHEMBL9156902 0.75 BCL2 (0.58) TYRALOX5ALOX15
SCHEMBL11205190 0.73 HTR1A (0.41) TYRCYP3A4KMT2A
SCHEMBL29492432 0.72 TYR (0.72) TYRALOX5TP53CYP3A4ALOX15
SCHEMBL70564 0.72 TYR (0.72) TYRALOX5TP53CYP3A4ALOX15
SCHEMBL9250453 0.72 TYR (0.60) TYRALOX5ALDH1A1HPGDALOX15

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-0320298-B1 Liquid-crystalline, thermotropic aromatic polyesters HIMONT ITALIA (IT) 1995-02-15 EP claimed