SCHEMBL9036334

SCHEMBL9036334

CCCC=CCNCCCC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.56
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.42
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH7 P40394 2/20 0.41
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
EPHX1 P07099 1/20 0.34
ADH4 P08319 1/20 0.34
CNR1 P21554 1/20 0.34
PPARA Q07869 1/20 0.33
EPHX2 P34913 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
SCHEMBL15383250 1.00 KDM1A (0.56) KDM1ATSHRALDH1A1ADH1BADH1C
SCHEMBL24414938 0.94 KDM1A (0.59) KDM1ATSHRALDH1A1ADH1BADH1C
SCHEMBL24131906 0.93 KDM1A (0.58) KDM1ATSHRALDH1A1ADH1BADH1C
SCHEMBL11403842 0.91 KDM1A (0.61) KDM1ATSHRALDH1A1ADH1BADH1C
SCHEMBL9213042 0.91 KDM1A (0.61) KDM1ATSHRALDH1A1ADH1BADH1C
SCHEMBL8927039 0.90 KDM1A (0.67) KDM1ATSHRALDH1A1ADH1BADH1C
SCHEMBL8637645 0.85 KDM1A (0.68) KDM1ATSHRALDH1A1ADH1BADH1C
SCHEMBL22473042 0.85 KDM1A (0.48) KDM1AALDH1A1ADH1BADH1AADH7
SCHEMBL8637649 0.85 KDM1A (0.68) KDM1ATSHRALDH1A1ADH1BADH1C
SCHEMBL12978077 0.85 KDM1A (0.50) KDM1ATSHR

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