SCHEMBL11780964

SCHEMBL11780964

CCCCCCCCCCCCCCCCCCNC(=O)NC(C)N

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.73
SMN1; SMN2 Q16637 1/20 0.60
DPP7 Q9UHL4 1/20 0.51
RRM1 P23921 1/20 0.51
CPT2 P23786 1/20 0.50
CPT1A P50416 1/20 0.50
CPT1B Q92523 1/20 0.50

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
SCHEMBL15700937 0.98 EPHX1 (0.70) EPHX1SMN1; SMN2DPP7RRM1CPT2
SCHEMBL25834895 0.85 EPHX1 (1.00) EPHX1SMN1; SMN2
SCHEMBL13777205 0.85 EPHX1 (1.00) EPHX1SMN1; SMN2
SCHEMBL27052608 0.85 EPHX1 (1.00) EPHX1SMN1; SMN2
SCHEMBL9784658 0.85 EPHX1 (1.00) EPHX1SMN1; SMN2
SCHEMBL12196042 0.85 EPHX1 (1.00) EPHX1SMN1; SMN2
SCHEMBL11778790 0.84 EPHX1 (0.66) EPHX1SMN1; SMN2DPP7RRM1CPT2
SCHEMBL10808317 0.83 EPHX1 (0.76) EPHX1SMN1; SMN2CPT2CPT1ACPT1B
SCHEMBL8342142 0.83 EPHX1 (0.76) EPHX1SMN1; SMN2CPT2CPT1ACPT1B
SCHEMBL1896879 0.82 EPHX1 (0.96) EPHX1SMN1; SMN2CPT2CPT1ACPT1B

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
US-3965015-A DETERGENT, AN UREA OR THIOUREA COLGATE-PALMOLIVE COMPANY (US) 1976-06-22 US disclosed