SCHEMBL18595166

SCHEMBL18595166

CCCCCCC(CCCCCC)CC(O)COC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.42
GPR84 Q9NQS5 8/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
LPAR5 Q9H1C0 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL18595178 1.00 LMNA (0.47) LMNAUSP2HTTGPR84FFAR1
SCHEMBL4608903 0.84 GPR84 (0.50) LMNAUSP2HTTGPR84FFAR1
SCHEMBL28182394 0.84 GPR84 (0.50) LMNAUSP2HTTGPR84FFAR1
SCHEMBL4608661 0.84 GPR84 (0.50) LMNAUSP2HTTGPR84FFAR1
SCHEMBL965066 0.84 GPR84 (0.50) LMNAUSP2HTTGPR84FFAR1
SCHEMBL4406662 0.84 GPR84 (0.50) LMNAUSP2HTTGPR84FFAR1
SCHEMBL4610388 0.84 GPR84 (0.50) LMNAUSP2HTTGPR84FFAR1
SCHEMBL16418383 0.83 LMNA (0.58) LMNAHTTGPR84FFAR1FFAR4
SCHEMBL19236247 0.83 LMNA (0.45) LMNAUSP2HTTGPR84FFAR1
SCHEMBL4604693 0.81 LMNA (0.56) LMNAHTTGPR84FFAR1FFAR4

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-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed