SCHEMBL28231663

SCHEMBL28231663

CCCCCC(C)[CH]c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.46
CHAT P28329 2/20 0.46
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 3/20 0.40
SMPD2 O60906 1/20 0.38
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4819774 0.82 SMPD2 (0.42) CNR1CHATSMPD2ALDH1A1F2
SCHEMBL27813589 0.77 SMPD2 (0.44) CHATKDM4EKMT2ASMPD2ALDH1A1
SCHEMBL6027641 0.77 SMPD2 (0.41) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL28299894 0.74 CHAT (0.41) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL8325158 0.74 TAAR1 (0.44) KMT2ASMPD2ALDH1A1F2LMNA
SCHEMBL6707342 0.74 SMPD2 (0.43) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL3243723 0.74 ALDH1A1 (0.45) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL304242 0.73 CHAT (0.50) CNR1CHATKDM4EKMT2AL3MBTL1
SCHEMBL6709477 0.73 SMPD2 (0.39) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL27460410 0.73 LMNA (0.41) CNR1KMT2ACNR2ALDH1A1LMNA

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-105899547-B The stable elements of anionic stabilizer comprising poly- (3,4- ethyldioxythiophenes) and with limited acidity 阿科玛法国公司 2018-07-10 CN disclosed