SCHEMBL5690449

SCHEMBL5690449

CCCCCCCCC(C)C1CCOO1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
OPRM1 P35372 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL4854987 0.84 EPHX1 (0.37) EPHX1
SCHEMBL7158865 0.84 EPHX1 (0.37) EPHX1
SCHEMBL11151418 0.82 EPHX1 (0.36) EPHX1
SCHEMBL11730302 0.79 EPHX1 (0.48) EPHX1OPRM1SPHK1
SCHEMBL27811789 0.79 EPHX1 (0.48) EPHX1OPRM1SPHK1
SCHEMBL11399545 0.78 ALDH1A1 (0.30)
SCHEMBL9240555 0.76 EPHX1 (0.31) EPHX1
SCHEMBL4844542 0.75 OPRM1 (0.33) OPRM1
SCHEMBL18825678 0.75 EPHX1 (0.40) EPHX1OPRM1SPHK1
SCHEMBL172845 0.75 EPHX1 (0.40) EPHX1OPRM1SPHK1

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
EP-1641433-A1 NOVEL DERMATOLOGICAL AND/OR COSMETOLOGIC HYDRATING AND ANTI-IRRITATION COMPOSITIONS Laboratoire Biorga (FR) 2006-04-05 EP disclosed
WO-2004041235-A1 NOVEL DERMATOLOGICAL AND/OR COSMETOLOGIC HYDRATING AND ANTI-IRRITATION COMPOSITIONS LABORATOIRE BIORGA (FR) 2004-05-21 WO disclosed