SCHEMBL19696240

SCHEMBL19696240

CNC(=O)C(C)(C)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.50
▸ ESR1 P03372 3/20 0.50
▸ ESR2 Q92731 3/20 0.50
▸ AR P10275 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ ESRRG P62508 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ PPARA Q07869 5/20 0.42
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40

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
SCHEMBL4429153 0.92 MEN1 (0.49) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL25612493 0.78 ESR1 (0.53) CYP3A4ESR1ESR2ARHPGD
SCHEMBL20133460 0.77 PPARA (0.46) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL30901955 0.77 CNR1 (0.47) CYP3A4ALDH1A1MEN1KMT2APPARA
SCHEMBL3237160 0.77 MAPT (0.50) CYP3A4ALDH1A1MEN1KMT2APPARA
SCHEMBL12204980 0.76 ESR2 (0.67) CYP3A4ESR1ESR2ARHPGD
SCHEMBL24487 0.76 ESR2 (0.67) CYP3A4ESR1ESR2ARHPGD
SCHEMBL9735030 0.74 PPARA (0.67) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL2483852 0.74 ESR2 (0.64) CYP3A4ESR1ESR2ARHPGD
SCHEMBL7937266 0.73 ESR2 (0.61) CYP3A4ESR1ESR2ARHPGD

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-9840646-B2 Epoxy resin with enhanced viscosity stability and use thereof DOW GLOBAL TECHNOLOGIES LLC (US) 2017-12-12 — — US disclosed
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