SCHEMBL18608265

SCHEMBL18608265

O=C(O)Oc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(O)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.55
ELANE P08246 1/20 0.53
HSD17B10 Q99714 1/20 0.52
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
SENP1 Q9P0U3 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
MAPT P10636 3/20 0.48
PKM P14618 2/20 0.48
LMNA P02545 2/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL18608264 1.00 PARP10 (0.55) PARP10ELANEHSD17B10CA12CA1
SCHEMBL740606 0.92 HSD17B10 (0.59) PARP10ELANEHSD17B10CA12CA1
SCHEMBL777813 0.92 HSD17B10 (0.59) PARP10ELANEHSD17B10CA12CA1
SCHEMBL16493489 0.92 HSD17B10 (0.59) PARP10ELANEHSD17B10CA12CA1
SCHEMBL688276 0.92 HSD17B10 (0.59) PARP10ELANEHSD17B10CA12CA1
SCHEMBL9696072 0.92 HSD17B10 (0.59) PARP10ELANEHSD17B10CA12CA1
SCHEMBL17722444 0.90 ELANE (0.65) PARP10ELANEHSD17B10CA12CA1
SCHEMBL5162040 0.88 PARP10 (0.70) PARP10ELANEHSD17B10KMT2AMEN1
Paraben SCHEMBL5083082 0.88 CA1 (0.64) PARP10ELANEHSD17B10CA12CA1
SCHEMBL20500513 0.88 CA1 (0.64) PARP10ELANEHSD17B10CA12CA1

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-20170066967-A1 POLYMERIZABLE COMPOSITION COMPRISING COMPOUND HAVING MESOGENIC GROUP, AND POLYMER THEREOF DIC CORPORATION (JP) 2017-03-09 US disclosed