SCHEMBL9036181

SCHEMBL9036181

C1CCC(CNCC2CCOCO2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
EPHX1 P07099 3/20 0.34
HTT P42858 1/20 0.34
CXCR4 P61073 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ANPEP P15144 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 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
SCHEMBL5864150 0.79 HPGD (0.60) HPGDADH1BADH1CADH1AADH4
SCHEMBL6750513 0.77 ADH1B (0.45) HPGDADH1BADH1CADH1AADH4
SCHEMBL8044816 0.75 HPGD (0.44) HPGDADH1BADH1CADH1AADH4
SCHEMBL1679102 0.73 ADH1B (0.59) HPGDADH1BADH1CADH1AADH4
SCHEMBL1678544 0.73 ADH1B (0.59) HPGDADH1BADH1CADH1AADH4
SCHEMBL1679033 0.73 ADH1B (0.59) HPGDADH1BADH1CADH1AADH4
SCHEMBL17376511 0.71 HPGD (0.54) HPGDHTTKDM4EALDH1A1LMNA
SCHEMBL1679343 0.71 ADH1B (0.56) HPGDADH1BADH1CADH1AADH4
SCHEMBL1678338 0.71 ADH1B (0.56) HPGDADH1BADH1CADH1AADH4
SCHEMBL1678148 0.71 ADH1B (0.56) HPGDADH1BADH1CADH1AADH4

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