SCHEMBL20416616

SCHEMBL20416616

c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4oc4cccc(-c6cccc7c(-c8c9ccccc9c(-c9c%10ccccc%10cc%10c9oc9ccccc9%10)c9ccccc89)cccc67)c45)c4ccccc34)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.38
GPR84 Q9NQS5 1/20 0.36
PRKDC P78527 1/20 0.33
ANPEP P15144 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SOS1 Q07889 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
AHR P35869 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10122559 0.88 GPR84 (0.40) ALOX5GPR84PRKDCNPC1CYP1A2
SCHEMBL17931977 0.87 ALOX5 (0.41) ALOX5GPR84PRKDCCYP1A2CYP2C19
SCHEMBL22707221 0.87 ALOX5 (0.44) ALOX5GPR84PRKDCNPC1CYP1A2
SCHEMBL10122599 0.87 GPR84 (0.40) ALOX5GPR84PRKDCNPC1CYP1A2
SCHEMBL24225922 0.87 ALOX5 (0.36) ALOX5GPR84PRKDCSOS1CYP1A1
SCHEMBL20127460 0.87 GPR84 (0.39) ALOX5GPR84PRKDCNPC1CYP1A2
SCHEMBL23351451 0.86 ALOX5 (0.46) ALOX5GPR84PRKDCNPC1CYP1A2
SCHEMBL10122553 0.86 HSD17B1 (0.38) ALOX5GPR84PRKDCNPC1CYP1A2
SCHEMBL20127465 0.86 GPR84 (0.42) ALOX5GPR84PRKDCNPC1CYP1A2
SCHEMBL22063076 0.84 L3MBTL1 (0.37) ALOX5GPR84PRKDCCYP1A2CYP2C9

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
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed