SCHEMBL9116790

SCHEMBL9116790

CCCCCCCCCCCCCCN(CC(O)CO)C(=O)C(O)CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.47
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SPHK1 Q9NYA1 1/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 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
SCHEMBL9115425 1.00 GPR84 (0.47) GPR84FFAR1FFAR4LMNAKDM4E
SCHEMBL2502264 1.00 GPR84 (0.47) GPR84FFAR1FFAR4LMNAKDM4E
SCHEMBL7786148 1.00 GPR84 (0.47) GPR84FFAR1FFAR4LMNAKDM4E
SCHEMBL21018932 1.00 GPR84 (0.47) GPR84FFAR1FFAR4LMNAKDM4E
SCHEMBL2492928 1.00 GPR84 (0.47) GPR84FFAR1FFAR4LMNAKDM4E
SCHEMBL7783905 1.00 GPR84 (0.47) GPR84FFAR1FFAR4LMNAKDM4E
SCHEMBL2497440 0.97 GPR84 (0.43) GPR84FFAR1FFAR4LMNAKDM4E
SCHEMBL2500612 0.94 GPR84 (0.40) GPR84FFAR1FFAR4LMNAKDM4E
SCHEMBL2637946 0.92 DGKA (0.47) GPR84FFAR1FFAR4
SCHEMBL2637945 0.92 DGKA (0.47) GPR84FFAR1FFAR4

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
US-5476671-A Skin disorders CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1995-12-19 US disclosed
WO-1995016665-A1 SYNTHETIC CERAMIDES AND THEIR USE IN COSMETIC COMPOSITIONS UNILEVER PLC (GB) 1995-06-22 WO disclosed