SCHEMBL11044754

SCHEMBL11044754

COc1ccc(CCCCCC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

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
CNR1 P21554 2/20 0.47
CNR2 P34972 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
F2RL1 P55085 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL27241091 1.00 CALM1 (0.53) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL3836788 0.98 CALM1 (0.55) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL1272900 0.93 CALM1 (0.56) CALM1IGF1RALOX15ALOX5TAAR1
Hydrochloric Acid SCHEMBL6614288 0.91 CALM1 (0.55) CALM1IGF1RALOX15ALOX5TAAR1
SCHEMBL911097 0.85 TAAR1 (0.55) CALM1ALOX15TAAR1CA12CA1
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
SCHEMBL28218193 0.84 CALM1 (0.69) 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