SCHEMBL27446256

SCHEMBL27446256

CC(C)CN(CC(O)C(=O)O)C(=O)NC(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.71
▸ ACE P12821 7/20 0.71
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ACACB O00763 5/20 0.46
▸ ACACA Q13085 4/20 0.46
▸ PTGS2 P35354 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PRCP P42785 1/20 0.42

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
SCHEMBL27445687 0.90 MME (0.63) MMEACEACACBACACA
SCHEMBL8448688 0.89 MME (0.69) MMEACEPTGS2
SCHEMBL8028819 0.89 MME (0.69) MMEACEPTGS2
SCHEMBL8028822 0.89 MME (0.69) MMEACEPTGS2
SCHEMBL8033096 0.83 MME (1.00) MMEACE
SCHEMBL8033719 0.83 MME (1.00) MMEACE
SCHEMBL8028021 0.83 MME (1.00) MMEACE
SCHEMBL8032863 0.83 MME (1.00) MMEACE
SCHEMBL8027291 0.83 MME (1.00) MMEACE
SCHEMBL8027090 0.83 MME (1.00) MMEACE

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-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 — — CN disclosed
Send feedback