SCHEMBL30801339

SCHEMBL30801339

CCCCCCc1c(CC)ccc2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTPN1 P18031 1/20 0.38
ELANE P08246 2/20 0.37
CTSG P08311 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
GPR3 P46089 1/20 0.36
PGR P06401 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CYP1A1 P04798 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6759460 0.93 PNMT (0.42) PNMTNPC1RAB9ANR1H2NR1H3
SCHEMBL1797126 0.93 PNMT (0.42) PNMTNPC1RAB9ANR1H2NR1H3
SCHEMBL31711756 0.93 PNMT (0.42) PNMTNPC1RAB9ANR1H2NR1H3
SCHEMBL167384 0.93 PNMT (0.42) PNMTNPC1RAB9ANR1H2NR1H3
SCHEMBL6760396 0.93 PNMT (0.42) PNMTNPC1RAB9ANR1H2NR1H3
SCHEMBL6758782 0.93 PNMT (0.42) PNMTNPC1RAB9ANR1H2NR1H3
SCHEMBL235556 0.93 PNMT (0.42) PNMTNPC1RAB9ANR1H2NR1H3
SCHEMBL3425445 0.92 PNMT (0.43) PNMTNPC1RAB9ANR1H2NR1H3
SCHEMBL2672468 0.87 PNMT (0.44) PNMTNPC1RAB9AELANECTSG
SCHEMBL7605726 0.87 PNMT (0.46) PNMTNPC1RAB9APGRLMNA

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-113544186-B Organic semiconductor composition 天光材料科技股份有限公司 2024-03-19 CN disclosed