SCHEMBL27342125

SCHEMBL27342125

CCC(=O)N(O)c1ccc2c(c1)CCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 7/20 0.46
▸ WNT3A P56704 7/20 0.46
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ CLK1 P49759 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ PRKCI P41743 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL27364321 0.81 CTNNB1 (0.43) CTNNB1WNT3AKEAP1NFE2L2CLK1
SCHEMBL27629579 0.74 CTNNB1 (0.68) CTNNB1WNT3AATMTAS1R3TAS1R1
SCHEMBL4848144 0.71 CTNNB1 (0.56) CTNNB1WNT3ACLK1TAS1R3TAS1R1
SCHEMBL10693468 0.71 CTNNB1 (0.47) CTNNB1WNT3AKEAP1NFE2L2CLK1
SCHEMBL9535006 0.70 CTNNB1 (0.46) CTNNB1WNT3AKEAP1NFE2L2NPC1
SCHEMBL8805389 0.70 CTNNB1 (0.42) CTNNB1WNT3AKEAP1NFE2L2CLK1
SCHEMBL25455117 0.69 CTNNB1 (0.48) CTNNB1WNT3ANPC1RAB9APOLB
SCHEMBL11242424 0.69 CTNNB1 (0.54) CTNNB1WNT3ACLK1ATMTAS1R3
SCHEMBL1726294 0.69 CTNNB1 (0.61) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL3782345 0.69 CTNNB1 (0.57) CTNNB1WNT3ACLK1DYRK1ADYRK1B

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
CN-1060286-A Antiinflammatory hydroxamic acids and N-hydroxyurea PFIZER (US) 1992-04-15 — — CN disclosed
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