SCHEMBL11044744

SCHEMBL11044744

COc1ccc(CCCCC[C]=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.53
IGF1R P08069 1/20 0.51
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX5 P09917 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
F2RL1 P55085 1/20 0.46
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL1272898 0.93 CALM1 (0.56) CALM1IGF1RALOX15ALOX5TAAR1
SCHEMBL692698 0.85 TAAR1 (0.55) CALM1ALOX15TAAR1F2RL1MAOB
SCHEMBL10571532 0.84 CALM1 (0.69) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL9509173 0.84 CALM1 (0.69) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL17400406 0.84 CALM1 (0.69) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL11007798 0.84 CALM1 (0.69) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL4254058 0.82 CALM1 (0.72) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL11193661 0.81 POLB (0.46) POLB
SCHEMBL5044882 0.80 CALM1 (0.55) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL18244820 0.80 CALM1 (0.55) CALM1IGF1RALOX15TDP1L3MBTL1

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
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed