SCHEMBL9949600

SCHEMBL9949600

CCCCC(CC)CC(CC(CC)CCCC)(C(=O)[O-])C(C(=O)[O-])S(=O)(=O)O.[Mg+2]

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.43
RECQL P46063 1/20 0.40
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 6/20 0.34
TSHR P16473 5/20 0.34
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.34
CA1 P00915 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL51224 0.97 CA2 (0.45) CA2RECQLALDH1A1CYP3A4TSHR
Lithium Ion SCHEMBL20526054 0.97 CA2 (0.43) CA2RECQLALDH1A1CYP3A4TSHR
Silver SCHEMBL2027794 0.97 CA2 (0.43) CA2RECQLALDH1A1CYP3A4TSHR
Potassium Ion SCHEMBL817853 0.97 CA2 (0.43) CA2RECQLALDH1A1CYP3A4TSHR
SCHEMBL2425803 0.97 CA2 (0.43) CA2RECQLALDH1A1CYP3A4TSHR
SCHEMBL8903389 0.89 CYP3A4 (0.41) CA2RECQLCYP3A4TSHRCA1
SCHEMBL10932193 0.89 CA2 (0.40) CA2RECQLALDH1A1CYP3A4TSHR
SCHEMBL31061740 0.88 CA2 (0.46) CA2RECQLCYP3A4TSHRCA1
SCHEMBL29957551 0.86 CA2 (0.45) CA2RECQLALDH1A1CYP3A4TSHR
SCHEMBL21330553 0.86 CA2 (0.35) CA2RECQLALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10080924-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2018-09-25 US disclosed
EP-2668978-B1 Golf ball DUNLOP SPORTS CO LTD (JP) 2017-09-13 EP disclosed
US-9119991-B2 Golf ball resin composition and golf ball DUNLOP SPORTS CO. LTD. (JP) 2015-09-01 US disclosed
US-20130324319-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-12-05 US disclosed
EP-2668978-A1 Golf ball Dunlop Sports Co., Ltd. (JP) 2013-12-04 EP disclosed
US-20130172112-A1 GOLF BALL RESIN COMPOSITION AND GOLF BALL DUNLOP SPORTS CO. LTD. (JP) 2013-07-04 US disclosed
US-20120165119-A1 GOLF BALL RESIN COMPOSITION AND GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-06-28 US disclosed