SCHEMBL11320599

SCHEMBL11320599

Cc1cc(=O)oc2c(C)c3c(cc12)CC(O)O3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
MAOA P21397 5/20 0.45
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
HTR2C P28335 1/20 0.44
ADORA2A P29274 1/20 0.44
HSD17B10 Q99714 5/20 0.43
HPGD P15428 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 3/20 0.42
UBE2N P61088 1/20 0.42
LMNA P02545 6/20 0.39
MCL1 Q07820 4/20 0.39
GAA P10253 4/20 0.39
MGAM O43451 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL11559196 0.87 MAOA (0.50) MAOBMAOAKDM4EALDH1A1MAPK1
SCHEMBL9134783 0.84 MAOA (0.46) MAOBMAOAKDM4EALDH1A1MAPK1
SCHEMBL7822499 0.81 MAOA (0.43) MAOBMAOAKDM4EALDH1A1MAPK1
SCHEMBL7483011 0.81 MAOA (0.43) MAOBMAOAKDM4EALDH1A1MAPK1
SCHEMBL7822726 0.81 MAOA (0.40) MAOBMAOAKDM4EALDH1A1MAPK1
SCHEMBL7822484 0.79 MCL1 (0.41) MAOBMAOAKDM4EALDH1A1MAPK1
SCHEMBL7825702 0.78 MAOA (0.40) MAOBMAOAKDM4EALDH1A1MAPK1
Iodide SCHEMBL7487937 0.78 MCL1 (0.41) MAOBMAOAKDM4EALDH1A1MAPK1
SCHEMBL7822261 0.78 L3MBTL1 (0.41) MAOBMAOAKDM4EALDH1A1MAPK1
SCHEMBL11253130 0.78 CYP2A6 (0.44) MAOAKDM4EALDH1A1MAPK1CYP3A4

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
US-4269851-A 8-Aminoalkyl-4-alkylpsoralens THOMAS C. ELDER, INC. (US) 1981-05-26 US disclosed