SCHEMBL7553685

SCHEMBL7553685

CCCCCCCCC=CCCCCCCCCn1ccnc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
KDM4E B2RXH2 2/20 0.46
SOAT1 P35610 2/20 0.46
FAAH O00519 8/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MGLL Q99685 2/20 0.43
CNR1 P21554 1/20 0.43
CES1 P23141 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL27845254 0.80 TLR8 (0.42) TLR8KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10421136 0.79 F13A1 (0.40) TLR8KDM4EKMT2ACYP1A2CYP3A4
SCHEMBL28285357 0.79 TLR8 (0.54) TLR8KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL28441745 0.79 TLR8 (0.54) TLR8KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL7798757 0.77 ALDH1A1 (0.70) TLR8KDM4EFAAHKMT2AMGLL
SCHEMBL7798764 0.77 ALDH1A1 (0.70) TLR8KDM4EFAAHKMT2AMGLL
Oleic Acid SCHEMBL18689896 0.76 PPARG (0.56) KDM4EFAAHKMT2ACYP1A2CYP3A4
Methane SCHEMBL28285372 0.76 TLR8 (0.54) TLR8KDM4EKMT2ACYP1A2CYP3A4
SCHEMBL28433183 0.75 TLR8 (0.50) TLR8KDM4EKMT2AMEN1CYP1A2
SCHEMBL3963375 0.75 FAAH (0.55) FAAHCES1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222916-A2 Use of amino-alcohol derivatives containing a urea function as moisturiser in cosmetic or dermatological compositions L'OREAL (FR) 2002-07-17 EP disclosed
EP-0815829-B1 Use of amino-alcohol derivatives containing an urea function in cosmetic and dermatologic compositions OREAL (FR) 2002-07-03 EP disclosed
EP-0815829-A1 Use of amino-alcohol derivatives containing an urea function in cosmetic and dermatologic compositions L'OREAL (FR) 1998-01-07 EP disclosed