SCHEMBL9003865

SCHEMBL9003865

Nc1ccc(C(=O)Oc2ccc(O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.63
PRSS1 P07477 3/20 0.63
PRSS2 P07478 3/20 0.63
PRSS3 P35030 3/20 0.63
PKM P14618 1/20 0.63
KMT2A Q03164 1/20 0.63
THRB P10828 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
BLM P54132 1/20 0.57
CASP6 P55212 1/20 0.57
GFER P55789 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NR1H4 Q96RI1 1/20 0.56
PARP10 Q53GL7 3/20 0.53
CYP3A4 P08684 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CA14 Q9ULX7 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
SCHEMBL9128037 0.95 F2 (0.58) F2PRSS1PRSS2PRSS3PKM
SCHEMBL346698 0.92 PRSS1 (0.71) F2PRSS1PRSS2PRSS3PKM
SCHEMBL107649 0.92 PRSS1 (0.71) F2PRSS1PRSS2PRSS3PKM
SCHEMBL347429 0.92 PRSS1 (0.71) F2PRSS1PRSS2PRSS3PKM
SCHEMBL688276 0.90 HSD17B10 (0.59) F2PRSS1PRSS2PRSS3PKM
SCHEMBL16493489 0.90 HSD17B10 (0.59) F2PRSS1PRSS2PRSS3PKM
SCHEMBL9696072 0.90 HSD17B10 (0.59) F2PRSS1PRSS2PRSS3PKM
SCHEMBL740606 0.90 HSD17B10 (0.59) F2PRSS1PRSS2PRSS3PKM
SCHEMBL777813 0.90 HSD17B10 (0.59) F2PRSS1PRSS2PRSS3PKM
SCHEMBL22310501 0.86 PRSS1 (0.65) F2PRSS1PRSS2PRSS3PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491201-A HEAT/CHEMICAL RESISTANCE; HIGH MECHANICAL STRENGTH THE DOW CHEMICAL COMPANY (US) 1996-02-13 US disclosed
EP-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 US disclosed
US-5338828-A Mesogenic cyclic imino ether-containing compositions and polymerization products thereof THE DOW CHEMICAL COMPANY (US) 1994-08-16 US disclosed
US-5281675-A Liquid crystal polymers THE DOW CHEMICAL COMPANY (US) 1994-01-25 US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 US disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed