SCHEMBL3770932

SCHEMBL3770932

CC(C)c1ccc(C(Oc2ccccc2)c2ccc(C(Oc3ccccc3)c3ccc(C(C)C)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.44
F2 P00734 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.39
PRSS1 P07477 1/20 0.38
SLC6A4 P31645 3/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL27871817 0.98 SRD5A2 (0.47) SRD5A2F2NPC1RAB9AADRA2A
SCHEMBL3770936 0.94 SRD5A2 (0.51) SRD5A2F2NPC1RAB9AADRA2A
SCHEMBL27871819 0.94 SRD5A2 (0.51) SRD5A2F2NPC1RAB9AADRA2A
SCHEMBL3758778 0.91 SRD5A2 (0.42) SRD5A2F2NPC1RAB9AADRA2A
SCHEMBL3758781 0.87 SRD5A2 (0.46) SRD5A2F2ADRA2AADRA2BADRA2C
SCHEMBL9859672 0.84 SRD5A2 (0.57) SRD5A2F2ADRA2AADRA2BADRA2C
SCHEMBL5292439 0.83 NPC1 (0.42) NPC1RAB9APOLBCNR2SLC6A4
SCHEMBL10498820 0.78 SLC2A1 (0.47) SRD5A2NPC1RAB9AADRA2AADRA2B
SCHEMBL172607 0.77 LTA4H (0.57) SRD5A2NPC1RAB9A
SCHEMBL27950260 0.77 IDO1 (0.60) SRD5A2F2ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8978553-B2 Heat-sensitive lithographic printing plates MITSUBISHI PAPER MILLS LIMITED (JP) 2015-03-17 US disclosed
US-20120192740-A1 FOUNTAIN SOLUTION COMPOSITION FOR LITHOGRAPHIC PRINTING PLATE AND LITHOGRAPHIC PRINTING METHOD MITSUBISHI PAPER MILLS LIMITED (JP) 2012-08-02 US disclosed
US-20100307359-A1 HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATES MITSUBISHI PAPER MILLS LIMITED (JP) 2010-12-09 US disclosed