SCHEMBL9854740

SCHEMBL9854740

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

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
ACHE P22303 12/20 0.49
NOD1 Q9Y239 2/20 0.46
TGFBR1 P36897 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
SCHEMBL7769026 1.00 EPHX1 (0.54) EPHX1ACHENOD1TGFBR1
SCHEMBL8657701 1.00 EPHX1 (0.54) EPHX1ACHENOD1TGFBR1
SCHEMBL8658518 1.00 EPHX1 (0.54) EPHX1ACHENOD1TGFBR1
SCHEMBL7769025 1.00 EPHX1 (0.54) EPHX1ACHENOD1TGFBR1
SCHEMBL2332506 0.93 TGFBR1 (0.47) EPHX1ACHETGFBR1
SCHEMBL5765667 0.93 TGFBR1 (0.47) EPHX1ACHETGFBR1
SCHEMBL1840799 0.93 TGFBR1 (0.47) EPHX1ACHETGFBR1
SCHEMBL8655928 0.92 EPHX2 (0.54) EPHX1
SCHEMBL8655937 0.92 EPHX2 (0.54) EPHX1
SCHEMBL8655925 0.92 EPHX2 (0.54) EPHX1

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
EP-0408448-A1 Urethane derivatives, their preparation and their use as humectants in cosmetic and pharmaceutical compositions for the treatment of dry skin L'OREAL (FR) 1991-01-16 EP disclosed