SCHEMBL28599340

SCHEMBL28599340

CCCCCCCCCC=Cc1cccc2c1ccc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.49
CNR1 P21554 2/20 0.42
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 4/20 0.41
HTT P42858 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1612562 0.91 CHAT (0.57) CHATCNR1CYSLTR2CYSLTR1SMPD2
SCHEMBL1469797 0.90 CHAT (0.55) CHATCNR1CYSLTR2CYSLTR1SMPD2
SCHEMBL6439610 0.90 CHAT (0.55) CHATCNR1CYSLTR2CYSLTR1SMPD2
SCHEMBL1469800 0.90 CHAT (0.55) CHATCNR1CYSLTR2CYSLTR1SMPD2
SCHEMBL1468842 0.85 CHAT (0.52) CHATCNR1SMPD2
SCHEMBL1468841 0.85 CHAT (0.52) CHATCNR1SMPD2
SCHEMBL234806 0.81 CHAT (0.48) CHATCNR1CYSLTR2CYSLTR1KDM4E
SCHEMBL1611242 0.81 CHAT (0.44) CHATCNR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL28591432 0.80 CHAT (0.43) CHATCNR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL1469095 0.79 CHAT (0.42) CHATCNR1CYSLTR2CYSLTR1ALDH1A1

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-113082127-A Chinese patent medicine wound plaster for promoting recovery and preparation method thereof 南京康天生物科技有限公司 2021-07-09 CN disclosed