SCHEMBL30745012

SCHEMBL30745012

CCOC(=O)c1nc2ccc(OCc3ccccc3)cc2cc1OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
HSP90AA1 P07900 1/20 0.66
KMT2A Q03164 1/20 0.66
PPARG P37231 2/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
MAOB P27338 3/20 0.50
NMT1 P30419 4/20 0.49
NMT2 O60551 1/20 0.49
GABRA1 P14867 3/20 0.47
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 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
SCHEMBL20944218 0.81 MEN1 (0.57) MEN1HSP90AA1KMT2APPARGPPARD
SCHEMBL30745018 0.81 MAOA (0.44) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL4847906 0.76 PTPN1 (0.63) PPARGPPARDMAOBALDH1A1PTPN1
SCHEMBL8629057 0.75 MEN1 (0.52) MEN1HSP90AA1KMT2APPARGPPARD
SCHEMBL8628372 0.75 MEN1 (0.52) MEN1HSP90AA1KMT2APPARGPPARD
SCHEMBL8627840 0.75 KMT2A (0.52) MEN1HSP90AA1KMT2APPARGPPARD
SCHEMBL4363943 0.74 MAOB (0.57) MEN1KMT2AMAOBALDH1A1HPGD
SCHEMBL8000403 0.74 MAOB (0.57) MEN1KMT2AMAOBALDH1A1PTPN1
SCHEMBL8629713 0.74 KMT2A (0.53) MEN1HSP90AA1KMT2APPARGPPARD
SCHEMBL8629309 0.74 MEN1 (0.53) MEN1HSP90AA1KMT2APPARGALDH1A1

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed