SCHEMBL2390593

SCHEMBL2390593

CCCCCCCCCCCCCCCCCC(=O)N(CC(O)CN(C(=O)CCCCCCCCCCCCCCCCC)C(C)O)C(C)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.49
FFAR1 O14842 1/20 0.49
EPHX2 P34913 1/20 0.46
CES2 O00748 4/20 0.44
FAAH O00519 2/20 0.43
MAPT P10636 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
CES1 P23141 3/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8080765 0.93 FFAR4 (0.54) FFAR4FFAR1EPHX2FAAHGPR84
SCHEMBL8081193 0.93 FFAR4 (0.54) FFAR4FFAR1EPHX2FAAHGPR84
SCHEMBL17258243 0.86 USP2 (0.51) FFAR4FFAR1EPHX2CES2MAPT
SCHEMBL8536165 0.86 USP2 (0.51) FFAR4FFAR1EPHX2CES2MAPT
SCHEMBL8345106 0.86 USP2 (0.51) FFAR4FFAR1EPHX2CES2MAPT
SCHEMBL8079958 0.84 EPHX2 (0.57) FFAR4FFAR1EPHX2CES2CES1
SCHEMBL9576894 0.84 EPHX2 (0.57) FFAR4FFAR1EPHX2CES2CES1
SCHEMBL8080122 0.84 EPHX2 (0.57) FFAR4FFAR1EPHX2CES2CES1
SCHEMBL27530726 0.83 EPHX2 (0.45) FFAR4FFAR1EPHX2CES2FAAH
SCHEMBL8066132 0.79 EPHX2 (0.57) FFAR4FFAR1EPHX2GPR84MEN1

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-2538920-A1 EMOLLIENT FOAMS FOR TREATMENT OF DERMATOSES Precision Dermatology, Inc. (US) 2013-01-02 EP disclosed
WO-2011106026-A1 EMOLLIENT FOAMS FOR TREATMENT OF DERMATOSES PRECISION DERMATOLOGY, INC. (US) 2011-09-01 WO disclosed