SCHEMBL17935744

SCHEMBL17935744

O=C(Oc1ccc(OCI)cc1)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.46
SENP1 Q9P0U3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
ESR1 P03372 2/20 0.44
MEN1 O00255 1/20 0.44
ESR2 Q92731 1/20 0.44
PRSS1 P07477 2/20 0.44
F2 P00734 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ELANE P08246 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL29325122 0.86 KMT2A (0.49) KMT2AHSD17B10SENP1PARP10CA12
SCHEMBL740606 0.85 HSD17B10 (0.59) KMT2AHSD17B10SENP1PARP10CA12
SCHEMBL16493489 0.85 HSD17B10 (0.59) KMT2AHSD17B10SENP1PARP10CA12
SCHEMBL9696072 0.85 HSD17B10 (0.59) KMT2AHSD17B10SENP1PARP10CA12
SCHEMBL777813 0.85 HSD17B10 (0.59) KMT2AHSD17B10SENP1PARP10CA12
SCHEMBL688276 0.85 HSD17B10 (0.59) KMT2AHSD17B10SENP1PARP10CA12
SCHEMBL30818987 0.84 LMNA (0.59) KMT2AESR1PRSS1LMNACYP1A2
SCHEMBL7747278 0.83 KMT2A (0.47) KMT2AHSD17B10SENP1PARP10CA12
SCHEMBL17281368 0.83 PARP10 (0.59) KMT2APARP10MEN1LMNACYP1A2
SCHEMBL10624035 0.83 KMT2A (0.66) KMT2APARP10CA12CA1CA2

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
WO-2016114348-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC MATERIAL DIC株式会社 2016-07-21 WO disclosed