SCHEMBL4040346

SCHEMBL4040346

C=Cc1ccc2c(-c3cccc4ccccc34)c(O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NSD2 O96028 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
ANPEP P15144 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
HSD17B1 P14061 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B2 P37059 2/20 0.40
HSP90AA1 P07900 4/20 0.39
HSP90AB1 P08238 4/20 0.39
MCL1 Q07820 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL12023085 0.90 MEN1 (0.50) MEN1KMT2ANSD2OPRM1OPRD1
SCHEMBL994000 0.82 TRPA1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL214870 0.82 NSD2 (0.54) MEN1KMT2ANSD2OPRM1OPRD1
SCHEMBL29360295 0.82 NSD2 (0.54) MEN1KMT2ANSD2OPRM1OPRD1
SCHEMBL9306693 0.81 MEN1 (0.47) MEN1KMT2ACYP1A2CYP2C9HSD17B1
SCHEMBL28068364 0.81 TLR8 (0.54) MEN1KMT2ANSD2OPRM1OPRD1
SCHEMBL31410627 0.80 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1CYP1A2
SCHEMBL29492615 0.80 NSD2 (0.53) MEN1KMT2ANSD2OPRM1OPRD1
SCHEMBL1840829 0.80 NSD2 (0.53) MEN1KMT2ANSD2OPRM1OPRD1
Hydrochloric Acid SCHEMBL31134043 0.80 PTPN22 (0.57) MEN1KMT2ANSD2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11036133-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2021-06-15 US disclosed
US-20200124961-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2020-04-23 US disclosed
EP-2003148-B1 RADIATION-SENSITIVE RESIN COMPOSITION COMPRISING A FLUORINE-CONTAINING POLYMER JSR CORP (JP) 2017-07-19 EP disclosed
EP-2003148-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2009-04-22 EP disclosed
EP-2003148-A2 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-12-17 EP disclosed