SCHEMBL11412224

SCHEMBL11412224

COc1ccc(CCCN=C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.51
ALOX5 P09917 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
MIF P14174 1/20 0.46
F2RL1 P55085 1/20 0.45
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11418258 0.95 CALM1 (0.47) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL8200727 0.95 CALM1 (0.50) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL11413062 0.94 CALM1 (0.46) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL11414017 0.94 CALM1 (0.46) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL11412752 0.94 LMNA (0.47) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL1845479 0.89 TAAR1 (0.50) CALM1TAAR1MIFF2RL1MAOB
SCHEMBL330828 0.85 MIF (0.50) MIFMAOB
SCHEMBL9358002 0.83 FFAR1 (0.44) MIFSMN1; SMN2
SCHEMBL10566112 0.83 MIF (0.64) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL331162 0.79 MIF (0.52) MIFMAOB

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
WO-2015142001-A2 COMPOUND HAVING CARDIOTONIC ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HEART FAILURE, CONTAINING SAME 충남대학교산학협력단 2015-09-24 WO disclosed
US-4232951-A DISPLAY DEVICE FOR MEMORY OR TEMPERATURE FUNCTIONS ALLIED CHEMICAL CORPORATION (US) 1980-11-11 US disclosed