SCHEMBL16636376

SCHEMBL16636376

C[C@H](NC1CCCCC1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MME P08473 5/20 0.43
▸ LMNA P02545 1/20 0.40
▸ TGFBR1 P36897 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ EPHX1 P07099 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ LTA4H P09960 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.37

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
SCHEMBL2790675 0.80 LMNA (0.41) ALDH1A1CYP3A4KMT2ALMNATGFBR1
SCHEMBL2790674 0.80 LMNA (0.41) ALDH1A1CYP3A4KMT2ALMNATGFBR1
SCHEMBL2797132 0.80 LMNA (0.41) ALDH1A1CYP3A4KMT2ALMNATGFBR1
SCHEMBL16340697 0.80 LMNA (0.41) ALDH1A1CYP3A4KMT2ALMNATGFBR1
SCHEMBL16439957 0.79 LMNA (0.40) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16439872 0.79 LMNA (0.40) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16439982 0.79 LMNA (0.40) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16439861 0.77 LMNA (0.41) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1468174 0.76 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5980144 0.76 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054770-A1 NOVEL NEUROPEPTIDES USEFUL AS INSECTICIDES The Volcani Center - The State of Israel, Ministry Of Agriculture, Agricultural Research Organization (IL) 2016-08-17 — — EP claimed
WO-2015052701-A1 NOVEL NEUROPEPTIDES USEFUL AS INSECTICIDES THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO), (VOLCANI CENTER) (IL) 2015-04-16 — — WO claimed
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