SCHEMBL11486116

SCHEMBL11486116

C#CC(O)(CC)c1ccc(Oc2ccccc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 2/20 0.41
▸ LPAR5 Q9H1C0 2/20 0.41
▸ XIAP P98170 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ AR P10275 1/20 0.39
▸ EZH2 Q15910 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ P2RX4 Q99571 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ GAA P10253 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
SCHEMBL11491253 0.89 XIAP (0.41) LPAR1LPAR5XIAPDPP4MAPK14
SCHEMBL11478348 0.87 LPAR1 (0.38) LPAR1LPAR5XIAPDPP4MAPK14
SCHEMBL11487885 0.85 PARP10 (0.43) LPAR1LPAR5MMP14
SCHEMBL11492433 0.84 LTA4H (0.44) PPARA
SCHEMBL11480978 0.82 MEN1 (0.39) LMNAL3MBTL1PPARA
SCHEMBL11479623 0.81 XIAP (0.43) LPAR1LPAR5XIAPMAPK14AR
SCHEMBL11483248 0.80 NPC1 (0.38) MAPK14PPARA
SCHEMBL11485286 0.78 AR (0.41) LPAR1LPAR5XIAPDPP4MAPK14
SCHEMBL11477245 0.77 HSPB1 (0.43) MAPK14LMNAARL3MBTL1
SCHEMBL11480174 0.77 MAPT (0.38) MMP14

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-4196215-A Alkyne compounds and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-04-01 — — US disclosed
US-4115456-A Alkyne compounds and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-19 — — US disclosed
Send feedback