SCHEMBL7322978

SCHEMBL7322978

[CH2]CCOc1ccc(C(C)=O)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MAOB P27338 2/20 0.61
MEN1 O00255 3/20 0.56
TSHR P16473 2/20 0.53
PRSS1 P07477 3/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL22260777 0.94 KMT2A (0.55) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL6856717 0.89 KMT2A (0.76) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL10761788 0.86 HPGD (0.64) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL6096092 0.86 KMT2A (0.63) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL9249394 0.86 KMT2A (0.63) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL4001162 0.84 KMT2A (0.66) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL10260429 0.84 KMT2A (0.66) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL1544858 0.84 KMT2A (0.62) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL29842346 0.84 KMT2A (0.66) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL470710 0.84 KMT2A (0.66) KMT2AMAOBMEN1TSHRPRSS1

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
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US claimed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US claimed