SCHEMBL4586209

SCHEMBL4586209

CCCCCCCCCCNC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.71
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
FAAH O00519 1/20 0.50
CPT2 P23786 1/20 0.49
CPT1A P50416 1/20 0.49
CPT1B Q92523 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL7769494 1.00 EPHX1 (0.71) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL4587111 1.00 EPHX1 (0.71) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL4586041 0.94 EPHX1 (0.63) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL14064432 0.94 EPHX1 (0.63) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL4585957 0.94 EPHX1 (0.63) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL11244673 0.93 SMN1; SMN2 (0.62) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL11244677 0.93 SMN1; SMN2 (0.62) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL4586198 0.86 SMN1; SMN2 (0.55) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL4586171 0.85 EPHX1 (0.58) EPHX1SMN1; SMN2FAAH
SCHEMBL4585168 0.85 EPHX1 (0.56) EPHX1SMN1; SMN2FAAH

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
WO-2008113992-A2 GEL COMPOSITIONS COMPRISING UREA DERIVATIVES PLIVA HRVATSKA D.O.O. (HR) 2008-09-25 WO claimed
WO-2008113992-A2 GEL COMPOSITIONS COMPRISING UREA DERIVATIVES PLIVA HRVATSKA D.O.O. (HR) 2008-09-25 WO disclosed