SCHEMBL17722444

SCHEMBL17722444

O=C(Oc1ccc(C(=O)c2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1)c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.65
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
PKM P14618 1/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.62
SRD5A2 P31213 1/20 0.54
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SENP1 Q9P0U3 1/20 0.52
PARP10 Q53GL7 1/20 0.52
F2 P00734 1/20 0.50

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
SCHEMBL740606 0.94 HSD17B10 (0.59) ELANELMNAMAPTESR1ESR2
SCHEMBL777813 0.94 HSD17B10 (0.59) ELANELMNAMAPTESR1ESR2
SCHEMBL16493489 0.94 HSD17B10 (0.59) ELANELMNAMAPTESR1ESR2
SCHEMBL688276 0.94 HSD17B10 (0.59) ELANELMNAMAPTESR1ESR2
SCHEMBL9696072 0.94 HSD17B10 (0.59) ELANELMNAMAPTESR1ESR2
SCHEMBL17722443 0.93 PARP10 (0.64) ELANELMNAMAPTESR1ESR2
SCHEMBL18608265 0.90 PARP10 (0.55) ELANELMNAMAPTESR1ESR2
SCHEMBL18608264 0.90 PARP10 (0.55) ELANELMNAMAPTESR1ESR2
SCHEMBL9735377 0.88 ELANE (0.56) ELANELMNAMAPTESR1ESR2
SCHEMBL777651 0.88 SENP1 (0.61) ELANELMNAMAPTESR1ESR2

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
US-20160122653-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2016-05-05 US disclosed