SCHEMBL9747112

SCHEMBL9747112

CC(C)c1c(O)cc(-c2ccccc2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.58
ALOX5 P09917 2/20 0.50
ABCB1 P08183 1/20 0.45
BACE1 P56817 1/20 0.44
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
HNF4A P41235 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
ESR2 Q92731 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSP90AA1 P07900 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL29149081 0.81 ABCB1 (0.52) AHRALOX5ABCB1GABRA1GABRB2
SCHEMBL29149110 0.81 AHR (0.45) AHRALOX5ABCB1BACE1HNF4A
SCHEMBL31010871 0.80 ALOX5 (0.63) AHRALOX5ABCB1ACMSDESR2
SCHEMBL31555997 0.79 NPC1 (0.55) AHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL8674451 0.76 CA1 (0.44) AHRABCB1GABRA1GABRB2HTT
SCHEMBL21872091 0.76 ESR2 (0.47) AHRMEN1HTTKMT2AESR2
SCHEMBL38654768 0.75 NR1H4 (0.57) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL17878569 0.75 ALOX5 (0.57) ALOX5HNF4AACMSDGABRA1GABRB2
SCHEMBL7418616 0.75 BACE1 (0.47) AHRALOX5ABCB1BACE1BCL2L1
SCHEMBL9496481 0.75 BACE1 (0.52) AHRALOX5ABCB1BACE1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP disclosed