SCHEMBL11110158

SCHEMBL11110158

CC(=O)Nc1ccc2c(c1)OC(C(C)C)CC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
NPC1 O15118 2/20 0.46
MAOA P21397 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BAZ2B Q9UIF8 1/20 0.45
AAK1 Q2M2I8 1/20 0.44
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA2A P08913 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL10361399 0.79 MAOB (0.62) MAPTNPC1MAOARAB9AKDM4E
SCHEMBL2494907 0.76 AAK1 (0.60) MAPTALDH1A1CYP1A2NPC1MAOA
SCHEMBL11472318 0.74 CYP1A2 (0.46) MAPTALDH1A1CYP1A2NPC1MAOA
SCHEMBL6836628 0.74 MAOB (0.56) MAPTNPC1RAB9AKDM4EHSD17B10
SCHEMBL5582783 0.74 CYP1A2 (0.63) MAPTALDH1A1CYP1A2NPC1MAOA
SCHEMBL30334729 0.74 CYP1A2 (0.63) MAPTALDH1A1CYP1A2NPC1MAOA
SCHEMBL11387809 0.73 CYP19A1 (0.63)
SCHEMBL11551584 0.70 MT-CO2 (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17052366 0.70 BAZ2B (0.51) MAPTALDH1A1CYP1A2NPC1MAOA
SCHEMBL1979073 0.70 PBRM1 (0.66) MAPTALDH1A1NPC1MAOARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4185112-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 US disclosed