SCHEMBL9035773

SCHEMBL9035773

[CH2]CCCC1CCCC(CCOC(=O)CC)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
NAAA Q02083 13/20 0.38
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
EPHX1 P07099 1/20 0.35
ASAH1 Q13510 1/20 0.33

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
SCHEMBL25022401 0.79 SMN1; SMN2 (0.46) SMN1; SMN2NAAACHRM2CHRM4CHRM1
SCHEMBL16470982 0.77 SMN1; SMN2 (0.49) SMN1; SMN2NAAACHRM2CHRM4CHRM1
SCHEMBL28327947 0.76 SMN1; SMN2 (0.59) SMN1; SMN2NAAAEPHX1
SCHEMBL5680459 0.76 EPHX1 (0.34) SMN1; SMN2NAAACHRM2CHRM4CHRM1
SCHEMBL28085500 0.75 NAAA (0.47) SMN1; SMN2NAAA
SCHEMBL28326644 0.74 EPHX1 (0.55) SMN1; SMN2NAAAEPHX1ASAH1
SCHEMBL12956860 0.74 SMN1; SMN2 (0.61) SMN1; SMN2NAAAEPHX1ASAH1
SCHEMBL6742402 0.73 CYP1A2 (0.40)
SCHEMBL13439387 0.73 NAAA (0.39) SMN1; SMN2NAAACHRM2CHRM4CHRM1
SCHEMBL28327948 0.73 EPHX1 (0.58) SMN1; SMN2NAAAEPHX1ASAH1

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
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed