SCHEMBL20520346

SCHEMBL20520346

CCOc1ccc(C(=O)CCC(=O)O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ STAT6 P42226 1/20 0.51
▸ CNR2 P34972 9/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HPGDS O60760 1/20 0.49
▸ GLA P06280 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CNR1 P21554 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ADAM17 P78536 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
Menbutone SCHEMBL30277792 0.85 CYP2C9 (0.69) ALDH1A1CYP1A2HSD17B10CYP2C9CYP3A4
Menbutone SCHEMBL1641812 0.85 CYP2C9 (0.69) ALDH1A1CYP1A2HSD17B10CYP2C9CYP3A4
SCHEMBL1869452 0.83 CNR2 (0.54) HSD17B10CYP2C9CNR2HPGDSGLA
SCHEMBL7905505 0.80 CNR2 (0.54) THRATHRBALDH1A1CYP2C9CYP3A4
SCHEMBL5232608 0.78 CNR2 (0.53) THRATHRBALDH1A1CYP2C9CNR2
SCHEMBL11171232 0.78 CNR2 (0.53) THRATHRBALDH1A1CYP2C9CNR2
SCHEMBL14124751 0.76 KMT2A (0.56) ALDH1A1CYP1A2HSD17B10CYP2C9CYP3A4
Succinic Acid SCHEMBL10379935 0.76 IDO1 (0.54) THRATHRBCYP2C9CNR2CYP2C19
SCHEMBL50817 0.75 ALDH1A1 (0.54) ALDH1A1HSD17B10CNR2GLAL3MBTL1
SCHEMBL29378631 0.75 ALDH1A1 (0.54) ALDH1A1HSD17B10CNR2GLAL3MBTL1

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
US-20180282165-A1 METHOD OF FORMING A MULTILAYER STRUCTURE ROHM & HAAS ELECT MAT (US) 2018-10-04 — — US disclosed
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