SCHEMBL30004330

SCHEMBL30004330

CCC=Cc1ccc2c(c1C=CCC)Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
PGR P06401 1/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 4/20 0.31
HSD17B10 Q99714 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
HTR2B P41595 2/20 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
SCHEMBL8528720 0.85 CYSLTR2 (0.44) PNMT
SCHEMBL8528717 0.85 CYSLTR2 (0.44) PNMT
SCHEMBL23777720 0.83 PNMT (0.46) PNMTNPC1RAB9APGRALDH1A1
SCHEMBL3677224 0.76 CYSLTR2 (0.37) PNMTMAPTKDM4EHSD17B10
Alcohol SCHEMBL30689895 0.76 RAB9A (0.39) PNMTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1617413 0.76 CYP1A2 (0.43) PNMTNPC1RAB9APGRALDH1A1
SCHEMBL1617410 0.76 CYP1A2 (0.43) PNMTNPC1RAB9APGRALDH1A1
SCHEMBL13782304 0.74 PNMT (0.35) PNMTNPC1RAB9AALDH1A1MAPT
SCHEMBL158937 0.73 PNMT (0.41) PNMTNPC1RAB9APGRALDH1A1
SCHEMBL2177653 0.73 PNMT (0.51) PNMTNPC1RAB9APGRALDH1A1

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
CN-112010788-B Non-ionic oxime ester photo-acid generator 常州强力先端电子材料有限公司 2022-10-21 CN disclosed