SCHEMBL2218129

SCHEMBL2218129

CCCCn1c2ccccc2c2cc(C(=O)O)nc(CC)c21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.47
RORA P35398 1/20 0.47
RORC P51449 1/20 0.47
RORB Q92753 1/20 0.47
CNR2 P34972 6/20 0.47
ALDH1A1 P00352 2/20 0.46
PSEN1 P49768 4/20 0.46
PSEN2 P49810 4/20 0.46
APH1B Q8WW43 4/20 0.46
NCSTN Q92542 4/20 0.46
APH1A Q96BI3 4/20 0.46
PSENEN Q9NZ42 4/20 0.46
CNR1 P21554 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL2216828 0.92 PGR (0.46) PGRRORARORCRORBCNR2
SCHEMBL2214060 0.88 ALDH1A1 (0.48) ALDH1A1HPGD
SCHEMBL2215558 0.87 CNR2 (0.50) PGRRORARORCRORBCNR2
SCHEMBL2214735 0.85 CYP19A1 (0.47) ALDH1A1HPGD
SCHEMBL27899805 0.85 CNR2 (0.48) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2214021 0.84 PLA2G2A (0.43) CNR2ALDH1A1PSEN1PSEN2APH1B
SCHEMBL27917571 0.84 CNR2 (0.45) PGRRORARORCRORBCNR2
SCHEMBL29217020 0.84 KDM4E (0.46) ALDH1A1HPGD
SCHEMBL2215730 0.84 ALDH1A1 (0.43) CNR2ALDH1A1PSEN1PSEN2APH1B
SCHEMBL27899832 0.83 CNR2 (0.53) CNR2PSEN1PSEN2APH1BNCSTN

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
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP claimed