SCHEMBL9696072

SCHEMBL9696072

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
CA14 Q9ULX7 3/20 0.58
PARP10 Q53GL7 2/20 0.57
SENP1 Q9P0U3 1/20 0.57
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
ELANE P08246 1/20 0.55
ESR1 P03372 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ESR2 Q92731 2/20 0.52
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 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 1.00 HSD17B10 (0.59) HSD17B10CA12CA1CA2CA7
SCHEMBL16493489 1.00 HSD17B10 (0.59) HSD17B10CA12CA1CA2CA7
SCHEMBL777813 1.00 HSD17B10 (0.59) HSD17B10CA12CA1CA2CA7
SCHEMBL688276 1.00 HSD17B10 (0.59) HSD17B10CA12CA1CA2CA7
SCHEMBL768517 0.94 SENP1 (0.61) HSD17B10CA12CA1CA2CA7
SCHEMBL777651 0.94 SENP1 (0.61) HSD17B10CA12CA1CA2CA7
SCHEMBL17826635 0.94 SENP1 (0.61) HSD17B10CA12CA1CA2CA7
SCHEMBL17722444 0.94 ELANE (0.65) HSD17B10CA12CA1CA2CA7
SCHEMBL20938271 0.94 SENP1 (0.61) HSD17B10CA12CA1CA2CA7
SCHEMBL12711658 0.94 SENP1 (0.61) HSD17B10CA12CA1CA2CA7

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-5143956-A Blends with low molecular weight liquid crystals BAYER AKTIENGESELLSCHAFT (DE) 1992-09-01 US disclosed