SCHEMBL9106841

SCHEMBL9106841

CCCCCC(CCC)CCCCCCC1(C(=O)O)CCC(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 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
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR4 O95977 2/20 0.33
S1PR5 Q9H228 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL8736020 0.89 S1PR5 (0.36) GPR84FFAR1LMNAPPARDS1PR1
SCHEMBL8976650 0.83 LMNA (0.38) LMNAS1PR1S1PR3S1PR4S1PR5
SCHEMBL9106833 0.83 PRSS1 (0.33) MAPTLMNA
SCHEMBL2229035 0.80 POLB (0.36) LMNA
SCHEMBL779884 0.77 CA2 (0.37) LMNA
Propylene Glycol SCHEMBL28305292 0.77 GRM2 (0.32) LMNA
SCHEMBL28226552 0.76 CYP2C19 (0.40) LMNA
SCHEMBL23533401 0.74 GPR84 (0.43) GPR84FFAR1PPARDFFAR4
SCHEMBL3493870 0.74 GPR84 (0.43) GPR84FFAR1PPARDFFAR4
SCHEMBL2051592 0.74 GPR84 (0.43) GPR84FFAR1PPARDFFAR4

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-20120138206-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-06-07 US disclosed