SCHEMBL4585957

SCHEMBL4585957

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

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.63
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
FAAH O00519 1/20 0.46
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
CPT1B Q92523 1/20 0.45

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
SCHEMBL14064432 1.00 EPHX1 (0.63) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL4586041 1.00 EPHX1 (0.63) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL4586198 0.94 SMN1; SMN2 (0.55) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL7769494 0.94 EPHX1 (0.71) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL4586209 0.94 EPHX1 (0.71) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL4587111 0.94 EPHX1 (0.71) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL11244677 0.87 SMN1; SMN2 (0.62) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL11244673 0.87 SMN1; SMN2 (0.62) EPHX1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL4585168 0.85 EPHX1 (0.56) EPHX1SMN1; SMN2FNTAFNTBFAAH
SCHEMBL4585800 0.85 EPHX1 (0.56) EPHX1SMN1; SMN2FNTAFNTBFAAH

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