SCHEMBL4612420

SCHEMBL4612420

COc1cccc(COc2cc(CC(C)C(=O)O)ccc2-c2cccc(N(C)C(=O)NCCc3ccc(-c4ccccc4)cc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 1/20 0.41
ROCK2 O75116 1/20 0.40
FFAR1 O14842 3/20 0.40
MAOB P27338 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
BCHE P06276 3/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4610356 0.89 FFAR1 (0.51) MTNR1AMTNR1BFFAR1
SCHEMBL2085300 0.88 FFAR1 (0.45) MTNR1AMTNR1BROCK2FFAR1BCHE
SCHEMBL2083300 0.85 FFAR1 (0.50) MTNR1AMTNR1BFFAR1OPRM1OPRD1
SCHEMBL2085155 0.83 FFAR1 (0.49) MTNR1AMTNR1BFFAR1MAOB
SCHEMBL4969516 0.81 FFAR1 (0.47) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL4612375 0.77 PPARA (0.43) OPRM1OPRD1OPRK1KMT2AALDH1A1
SCHEMBL4612592 0.76 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL2085517 0.76 FFAR1 (0.52) MTNR1AMTNR1BROCK2FFAR1OPRM1
SCHEMBL2084534 0.75 FFAR1 (0.49) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL4611227 0.75 KCNH2 (0.45) ROCK2FFAR1OPRM1OPRD1OPRK1

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-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP claimed