SCHEMBL2914565

SCHEMBL2914565

CCc1ccc(C#Cc2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.47
▸ FKBP1A P62942 1/20 0.45
▸ ACACB O00763 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP13 P45452 2/20 0.39

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
SCHEMBL2918327 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL2915987 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL8070009 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL306032 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL307240 0.80 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL3670808 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL23668758 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL3677741 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL12264019 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL10940747 0.77 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388538-B1 Polymerisation Initiator MERCK PATENT GMBH (DE) 2010-09-01 — — EP disclosed
EP-1388538-B1 Polymerisation Initiator MERCK PATENT GMBH (DE) 2010-09-01 — — EP disclosed
EP-1388538-A1 Polymerisation Initiator MERCK PATENT GmbH (DE) 2004-02-11 — — EP disclosed
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