SCHEMBL7997019

SCHEMBL7997019

C=CCCCO[C@H]1CCN(C(=O)NCC(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
LSS P48449 1/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
MDM2 Q00987 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL21767671 0.82 LSS (0.39) NAMPTLSSABCC4MAPTALDH1A1
SCHEMBL21767675 0.82 LSS (0.39) NAMPTLSSABCC4MAPTALDH1A1
SCHEMBL30094731 0.81 LSS (0.40) NAMPTLSSABCC4MAPTALDH1A1
SCHEMBL2895285 0.81 LSS (0.33) NAMPTLSS
SCHEMBL7996522 0.79 LSS (0.36) NAMPTLSSALDH1A1
SCHEMBL8005512 0.79 KMT2A (0.36) MDM2LMNA
SCHEMBL3309650 0.78 REN (0.31) NAMPTLSS
SCHEMBL3304630 0.78 REN (0.31) NAMPTLSS
SCHEMBL1073190 0.77 REN (0.33) NAMPTLSSALDH1A1
SCHEMBL28559014 0.74 TEAD3 (0.37) NAMPTLSS

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
WO-2009108507-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2009-09-03 WO disclosed