SCHEMBL9285644

SCHEMBL9285644

CCC(OC(=O)C1CCCC1=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CAMK1D Q8IU85 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.30
RECQL P46063 1/20 0.30
MCL1 Q07820 1/20 0.30
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
OPRK1 P41145 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1789825 0.74 GABRA1 (0.36) LMNACAMK1DCYP1A2KMT2A
SCHEMBL21275008 0.71 MAPK1 (0.36) MAPK1CYP1A2RECQLMCL1PTGS1
SCHEMBL11273314 0.68 MAPK1 (0.41) LMNAMAPK1CYP1A2RECQLMCL1
SCHEMBL21274846 0.67 MAPK1 (0.41) MAPK1MCL1KMT2A
SCHEMBL9315626 0.67 CYP2D6 (0.36) LMNAMAPK1CYP1A2RECQLMCL1
SCHEMBL374935 0.66 MAPK1 (0.47) MAPK1CYP1A2RECQLMCL1
SCHEMBL31276435 0.66 MAPK1 (0.47) MAPK1CYP1A2RECQLMCL1
SCHEMBL25061 0.66 MAPK1 (0.47) MAPK1CYP1A2RECQLMCL1
SCHEMBL15692218 0.66 MAPK1 (0.36) MAPK1CYP1A2RECQLMCL1KMT2A
SCHEMBL3780480 0.65 MAPK1 (0.41) MAPK1CYP1A2RECQLMCL1KMT2A

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-5420343-A ANTIINFLAMMATORY AGENTS; CYCLOOXYGENASE INHIBITORS G. D. SEARLE & CO. (US) 1995-05-30 US disclosed