SCHEMBL21440328

SCHEMBL21440328

Oc1c(-c2ccccc2)cccc1-c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
HNF4A P41235 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDR P35968 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRCP P42785 1/20 0.40
ANPEP P15144 1/20 0.38
IL1RN P18510 1/20 0.38

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
SCHEMBL27819054 0.88 PNMT (0.46) PNMTHNF4ANPC1RAB9AKDR
SCHEMBL15661976 0.87 PNMT (0.47) PNMTHNF4AHDAC4HDAC2HDAC8
SCHEMBL29401802 0.87 PNMT (0.53) PNMTNPC1RAB9AKDRADORA2A
SCHEMBL70992 0.87 PNMT (0.53) PNMTNPC1RAB9AKDRADORA2A
SCHEMBL29809707 0.87 PNMT (0.53) PNMTNPC1RAB9AKDRADORA2A
SCHEMBL27718430 0.85 PNMT (0.52) PNMTNPC1RAB9AKDRADORA2A
SCHEMBL31413938 0.85 PNMT (0.52) PNMTNPC1RAB9AKDRADORA2A
Bromide SCHEMBL15404509 0.85 PNMT (0.52) PNMTNPC1RAB9AKDRADORA2A
SCHEMBL2594421 0.85 PNMT (0.52) PNMTNPC1RAB9AKDRADORA2A
Boric Acid SCHEMBL28830312 0.84 PNMT (0.47) PNMTNPC1RAB9AKDRADORA2A

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-2019194111-A1 POLYMER FOR RETARDATION FILM, RETARDATION FILM, AND MANUFACTURING METHOD AND USE THEREOF 大阪ガスケミカル株式会社 2019-10-10 WO disclosed