SCHEMBL1353239

SCHEMBL1353239

[CH2]CCCOc1ccc(CCCCCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.63
CYP3A4 P08684 2/20 0.63
MEN1 O00255 1/20 0.63
USP2 O75604 1/20 0.63
MAPK1 P28482 1/20 0.63
CASP1 P29466 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
SLCO1B3 Q9NPD5 1/20 0.63
SLCO1B1 Q9Y6L6 1/20 0.63
NR5A1 Q13285 1/20 0.51
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
THRB P10828 2/20 0.50

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
SCHEMBL7465256 0.95 LMNA (0.61) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL8733409 0.95 LMNA (0.61) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL58833 0.95 LMNA (0.61) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6200177 0.95 LMNA (0.61) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL16411213 0.93 ALDH1A1 (0.63) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL6199890 0.93 MEN1 (0.59) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL11042252 0.93 LMNA (0.59) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL7342923 0.93 LMNA (0.54) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL57081 0.91 LMNA (0.56) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL7295478 0.91 LMNA (0.55) ALDH1A1LMNACYP3A4MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110284829-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 US disclosed
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