SCHEMBL27757298

SCHEMBL27757298

Cc1ccc(-c2ncc(C(=O)O)n2CC2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.43
▸ CNR1 P21554 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ GRIN1 Q05586 3/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ PTGIR P43119 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ ICMT O60725 1/20 0.37
▸ PTGER4 P35408 5/20 0.37
▸ P2RY14 Q15391 3/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 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
SCHEMBL19284356 0.82 PADI4 (0.41) NOTUM
SCHEMBL19301796 0.78 PADI4 (0.42) NOTUMKDM2BPTGER4MAPTMTOR
SCHEMBL19284354 0.78 LMNA (0.45) GRIN1GRIN2BPTGER4
SCHEMBL27736521 0.74 MEN1 (0.40) CNR1PIK3CAMTOR
SCHEMBL15180531 0.73 MAP4K4 (0.41) KDM2B
SCHEMBL27736515 0.73 L3MBTL1 (0.41) CNR1PIK3CAMTOR
SCHEMBL17868428 0.72 MAP4K4 (0.41) —
SCHEMBL19301627 0.71 KDM4E (0.43) NOTUMGRIN1GRIN2BMAPK14MAPT
Hydrochloric Acid SCHEMBL27294605 0.71 MAP4K4 (0.40) —
SCHEMBL19284323 0.70 PADI4 (0.39) —

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-101405277-A Dicarbonylic compounds with antibacterial activity SALVAT LAB SA (ES) 2009-04-08 — — CN disclosed
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