SCHEMBL9058487

SCHEMBL9058487

COC1=C(C(C)=O)Cc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
ACSL1 P33121 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9058295 0.82 ALDH1A1 (0.41) MAOBGABRA1GABRB2KMT2AALDH1A1
SCHEMBL9058193 0.82 MTNR1A (0.44) MAOAMAOBGABRA1GABRB2MEN1
SCHEMBL9058219 0.80 CA12 (0.39) MAOAMAOBMEN1KMT2ACYP1A2
SCHEMBL9058022 0.78 KDM4E (0.42) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL6573676 0.73 MAOA (0.54) MAOAMAOBACSL1ALDH1A1SMN1; SMN2
Xanthene SCHEMBL27518873 0.72 MAOA (0.71) MAOAMAOBACSL1MEN1KMT2A
Xanthene SCHEMBL11805046 0.72 MAOA (0.71) MAOAMAOBACSL1MEN1KMT2A
SCHEMBL10845751 0.70 MAOA (0.55) MAOAMAOBACSL1CYP1A2CYP2C9
SCHEMBL10512939 0.67 MAOA (0.50) MAOAMAOBACSL1MEN1KMT2A
SCHEMBL411459 0.67 MAOA (0.46) MAOAMAOBACSL1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996020296-A1 USE OF CHROMIUM DERIVATIVES AS BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1996-07-04 WO claimed
WO-1996020296-A1 USE OF CHROMIUM DERIVATIVES AS BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed