SCHEMBL11093534

SCHEMBL11093534

COCOC1=C(c2ccc(Cl)cc2Cl)C(=O)CC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.40
▸ OPRM1 P35372 6/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPK13 O15264 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ RECQL P46063 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
SCHEMBL11096652 0.89 CYP11B2 (0.39) CYP11B2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11094931 0.79 OPRM1 (0.39) CYP11B2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11095941 0.76 OPRM1 (0.39) OPRM1OPRD1ALDH1A1LMNAGAA
SCHEMBL11092969 0.72 ALPL (0.39) MEN1KMT2AMAPTHTT
SCHEMBL10736180 0.71 L3MBTL1 (0.40) ALDH1A1CNR1GAANPSR1
SCHEMBL11127826 0.71 MEN1 (0.41) CYP11B2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL10730081 0.69 KMT2A (0.40) CYP11B2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11091882 0.68 BRD4 (0.36) CYP11B2OPRM1ALDH1A1LMNAMEN1
SCHEMBL10912398 0.67 P2RX7 (0.41) CYP11B2KMT2AGAAMAPTCYP1A2
SCHEMBL14001512 0.66 GSK3B (0.44) ALDH1A1LMNAMEN1KMT2ACNR1

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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