SCHEMBL11096652

SCHEMBL11096652

COCCOC1=C(c2ccc(Cl)cc2Cl)C(=O)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.39
▸ OPRM1 P35372 4/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ ALPL P05186 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ CDK2 P24941 1/20 0.34

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
SCHEMBL11093534 0.89 CYP11B2 (0.40) CYP11B2OPRM1OPRD1OPRK1CYP1A2
SCHEMBL11092969 0.84 ALPL (0.39) ALPLMEN1KMT2AMAPTCYP3A4
SCHEMBL11091882 0.80 BRD4 (0.36) CYP11B2OPRM1CYP2C19MEN1KMT2A
SCHEMBL11127826 0.73 MEN1 (0.41) CYP11B2OPRM1OPRD1OPRK1MEN1
SCHEMBL10736180 0.71 L3MBTL1 (0.40) CNR1GAAALDH1A1
SCHEMBL11094931 0.68 OPRM1 (0.39) CYP11B2OPRM1OPRD1OPRK1CYP2C19
SCHEMBL10730081 0.68 KMT2A (0.40) CYP11B2OPRM1OPRD1OPRK1MEN1
SCHEMBL10912398 0.66 P2RX7 (0.41) CYP11B2CYP1A2CYP2C19KMT2AGAA
SCHEMBL14001512 0.65 GSK3B (0.44) ALPLCYP1A2CYP2C19MEN1KMT2A
SCHEMBL11095941 0.65 OPRM1 (0.39) OPRM1OPRD1GAAGSK3BALDH1A1

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-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 — — US disclosed
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