SCHEMBL27697128

SCHEMBL27697128

CCCCCCCCCCN(CCCCCCCCCC)c1ccc(-c2ccc(N)cc2)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
MAPT P10636 3/20 0.37
TLR8 Q9NR97 1/20 0.34
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 2/20 0.33
PSMD14 O00487 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL17141911 0.83 CNR1 (0.38) CNR1CNR2MAPTTLR8ALDH1A1
SCHEMBL2331008 0.78 MAPT (0.40) CNR1CNR2MAPTTLR8ALDH1A1
Alcohol SCHEMBL27849531 0.75 RXRA (0.36) CNR1CNR2MAPTALDH1A1RAB9A
SCHEMBL7121739 0.74 ALDH1A1 (0.52) CNR1CNR2MAPTTLR8ALDH1A1
SCHEMBL27687136 0.74 CYP3A4 (0.40) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL21548 0.74 CYP3A4 (0.40) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8954051 0.73 CYP3A4 (0.53) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL2790604 0.73 ALDH1A1 (0.53) CNR1CNR2MAPTTLR8ALDH1A1
Benzidine SCHEMBL4523874 0.73 CYP3A4 (0.41) MAPTALDH1A1RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL1074845 0.73 TDP1 (0.39) MAPTALDH1A1GAAKMT2AHSD17B10

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-101029285-A Leather antibacterial cleaner QUAN LIMIN (CN) 2007-09-05 CN disclosed