SCHEMBL10012940

SCHEMBL10012940

Oc1ccc(O)c(CCc2cc(O)ccc2O)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.64
EGFR P00533 3/20 0.58
LCK P06239 1/20 0.58
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
CKS1B P61024 1/20 0.53
SKP2 Q13309 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
AKR1B1 P15121 1/20 0.45

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
SCHEMBL13969040 0.89 EGFR (0.64) TYREGFRLCKALDH1A1TP53
SCHEMBL13065628 0.87 TYR (0.57) TYREGFRLCKALDH1A1TP53
SCHEMBL1467498 0.87 TYR (0.50) TYREGFRLCKALDH1A1TP53
SCHEMBL29434930 0.87 TYR (0.50) TYREGFRLCKALDH1A1TP53
SCHEMBL70464 0.85 ESR1 (0.55) TYREGFRLCKALDH1A1TP53
SCHEMBL11522595 0.85 TYR (0.48) TYREGFRLCKALDH1A1TP53
SCHEMBL1044776 0.85 RECQL (0.58) TYREGFRLCKALDH1A1TP53
SCHEMBL30014025 0.85 ESR1 (0.55) TYREGFRLCKALDH1A1TP53
SCHEMBL1426624 0.85 EGFR (0.60) TYREGFRLCKALDH1A1TP53
Bromide SCHEMBL10939970 0.84 RECQL (0.56) TYREGFRLCKALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed