SCHEMBL5648100

SCHEMBL5648100

O=S(=O)(O)CC1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 1/20 0.50
EPHX1 P07099 3/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX5 P09917 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 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
MMP8 P22894 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
SCHEMBL28296964 1.00 INPP5A (0.50) INPP5AEPHX1HPGDKMT2AALOX5
SCHEMBL5669891 1.00 INPP5A (0.50) INPP5AEPHX1HPGDKMT2AALOX5
SCHEMBL6965666 0.97 INPP5A (0.48) INPP5AEPHX1HPGDKMT2AALOX5
SCHEMBL7402518 0.97 INPP5A (0.48) INPP5AEPHX1HPGDKMT2AALOX5
Hydrochloric Acid SCHEMBL28059252 0.97 INPP5A (0.54) INPP5AEPHX1HPGDKMT2AALOX5
SCHEMBL246739 0.97 INPP5A (0.52) INPP5AEPHX1HPGDKMT2AALOX5
SCHEMBL6957998 0.95 INPP5A (0.50) INPP5AEPHX1HPGDKMT2AALOX5
Hydrochloric Acid SCHEMBL27851279 0.95 INPP5A (0.56) INPP5AEPHX1HPGDKMT2AALOX5
SCHEMBL3961106 0.92
Hydrochloric Acid SCHEMBL28307160 0.90 INPP5A (0.56) INPP5AALOX5ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217697-B2 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-05-15 US disclosed
EP-0156245-A1 7-oxabicycloheptane substituted prostaglandin interphenylene analogs E.R. Squibb & Sons, Inc. (US) 1985-10-02 EP disclosed
US-4536513-A 7-Oxabicycloheptane substituted prostaglandin interphenylene analogs useful in the treatment of thrombolytic disease E. R. SQUIBB & SONS, INC. (US) 1985-08-20 US disclosed