SCHEMBL16693136

SCHEMBL16693136

CCOC(=O)c1cc2c(F)cccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
KDM4E B2RXH2 4/20 0.51
AHR P35869 1/20 0.51
AKR1B1 P15121 1/20 0.51
ALOX5 P09917 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 1/20 0.48
NMT2 O60551 1/20 0.47
NMT1 P30419 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46

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
SCHEMBL9955893 0.86 MAOB (0.60) MAOBKDM4EAHRAKR1B1ALOX5
SCHEMBL3460446 0.85 MAOB (0.56) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL8150841 0.84 KDM4E (0.56) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL20558990 0.84 KDM4E (0.48) MAOBKDM4EALDH1A1KMT2AATM
SCHEMBL22499263 0.83 AKR1B1 (0.55) MAOBKDM4EAKR1B1ALDH1A1KMT2A
SCHEMBL28368214 0.83 MAOB (0.53) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL31353116 0.83 MAOB (0.53) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL8440469 0.83 MAOB (0.53) MAOBKDM4EAHRAKR1B1ALOX5
SCHEMBL15714389 0.82 KDM4E (0.56) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL10395657 0.82 MAOB (0.50) MAOBKDM4EAHRAKR1B1ALDH1A1

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
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed