SCHEMBL23168593

SCHEMBL23168593

Clc1ccc(-c2ccc3ccccc3c2)c2oc3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
AHR P35869 2/20 0.41
CDC14B O60729 2/20 0.40
CDC14A Q9UNH5 2/20 0.40
GPR84 Q9NQS5 1/20 0.39
GSTP1 P09211 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PRKDC P78527 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
RAB9A P51151 2/20 0.38
CYP2C9 P11712 2/20 0.38
NPC1 O15118 1/20 0.38
MIF P14174 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL23285606 0.89 GSTP1 (0.39) ALOX5AHRGPR84GSTP1CYP1A1
SCHEMBL22316004 0.86 ALDH1A1 (0.39) AHRCDC14BCDC14ACYP1A2CYP2C19
SCHEMBL22316791 0.85 ALDH1A1 (0.39) AHRCDC14BCDC14ACYP1A2CYP2C19
SCHEMBL27451241 0.84 CDC14B (0.50) ALOX5AHRCDC14BCDC14ATTR
SCHEMBL26420832 0.84 ESR1 (0.37) ALOX5AHRGPR84GSTP1CYP1A1
SCHEMBL22884603 0.84 CDC14B (0.52) ALOX5AHRCDC14BCDC14ACYP1B1
SCHEMBL29833049 0.84 CDC14B (0.52) ALOX5AHRCDC14BCDC14ACYP1B1
SCHEMBL22315501 0.84 GPR84 (0.35) AHRCDC14BCDC14AGPR84CYP1A2
SCHEMBL25775096 0.83 ALOX5 (0.42) ALOX5CDC14BCDC14AGPR84GSTP1
SCHEMBL26427673 0.83 ALOX5 (0.42) ALOX5CDC14BCDC14AGPR84GSTP1

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
WO-2021060723-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-04-01 WO disclosed