SCHEMBL8601494

SCHEMBL8601494

CCCCCCCCCCCCCCCCCC(CC(O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.48
GPR84 Q9NQS5 5/20 0.43
FFAR4 Q5NUL3 1/20 0.42
USP2 O75604 1/20 0.42
FFAR1 O14842 1/20 0.42
LPAR1 Q92633 4/20 0.41
LPAR3 Q9UBY5 4/20 0.41
LPAR2 Q9HBW0 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL1176926 0.89 DNM1 (0.52) DNM1GPR84FFAR4USP2FFAR1
SCHEMBL7799192 0.84 DNM1 (0.47) DNM1GPR84USP2LPAR1LPAR3
SCHEMBL14765589 0.84 DNM1 (0.52) DNM1LPAR1LPAR3LPAR2HTT
SCHEMBL7797236 0.84 DNM1 (0.47) DNM1GPR84USP2LPAR1LPAR3
SCHEMBL11795745 0.82 GPR84 (0.47) GPR84FFAR4FFAR1HTT
SCHEMBL8830375 0.82 GPR84 (0.47) GPR84FFAR4FFAR1HTT
SCHEMBL11796216 0.82 GPR84 (0.47) GPR84FFAR4FFAR1HTT
SCHEMBL11802457 0.82 GPR84 (0.47) GPR84FFAR4FFAR1HTT
SCHEMBL17263911 0.82 DNM1 (0.61) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL11189857 0.82 DNM1 (0.61) DNM1LPAR1LPAR3LPAR2ALDH1A1

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-5798121-A ANTIDANDRUFF SHAMPOO L'OREAL (FR) 1998-08-25 US disclosed