SCHEMBL27894569

SCHEMBL27894569

CCCC(=O)ON1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.43
▸ NAMPT P43490 11/20 0.42
▸ DPP8 Q6V1X1 2/20 0.39
▸ DPP9 Q86TI2 2/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL7399069 0.89 NOTUM (0.46) NOTUMALDH1A1
SCHEMBL1535851 0.73 — —
SCHEMBL10413341 0.73 NOTUM (0.47) NOTUMNAMPTDPP8DPP9DPP7
SCHEMBL27622745 0.72 SLC18A3 (0.60) NAMPTALDH1A1
SCHEMBL27570333 0.72 SIGMAR1 (0.51) ALDH1A1
SCHEMBL27648479 0.72 BLM (0.57) ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL28284496 0.71 NOTUM (0.48) NOTUMALDH1A1CYP1A2CYP2C19
SCHEMBL8471853 0.71 NOTUM (0.49) NOTUMALDH1A1
SCHEMBL11435778 0.71 KMT2A (0.52) ALDH1A1CYP2D6
SCHEMBL10850124 0.71 ALDH1A1 (0.43) ALDH1A1CYP1A2

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-102781915-A Diacylglycerol acyltransferase inhibitors PIRAMAL LIFE SCIENCES LTD 2012-11-14 — — CN disclosed
Send feedback