SCHEMBL18595261

SCHEMBL18595261

CCCCCCC(CCC)C1(C(=O)OCC)CCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.37
GPR84 Q9NQS5 4/20 0.34
FFAR1 O14842 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL20341607 0.78 GPR84 (0.44) GPR84FFAR1MAPTLCKPPARD
SCHEMBL6432284 0.77 CA2 (0.39) SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL3472515 0.77 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1239842 0.77 GPR84 (0.41) ZDHHC7GPR84FFAR1MAPTLCK
SCHEMBL14504414 0.72 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL16699711 0.71 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL2860007 0.70 FAAH (0.47) FFAR1MAPTFAAHPPARDMEN1
SCHEMBL1240747 0.70 FAAH (0.47) FFAR1MAPTFAAHPPARDMEN1
SCHEMBL14576719 0.70 CA2 (0.36) GPR84FFAR1MEN1KMT2A
SCHEMBL19701698 0.67 ALDH1A1 (0.40) SMN1; SMN2TSHRMEN1KMT2A

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