SCHEMBL8722334

SCHEMBL8722334

CCN(CC)C(=O)S.CCN(CC)C(=O)S.[Te]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.48
HTT P42858 2/20 0.48
GSDMD P57764 2/20 0.48
CYP2E1 P05181 1/20 0.48
PTGS1 P23219 1/20 0.48
LMNA P02545 3/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
CA1 P00915 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
EHMT2 Q96KQ7 3/20 0.35
EHMT1 Q9H9B1 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 2/20 0.35
HTR1A P08908 2/20 0.34

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
SCHEMBL689389 0.97
Ammonia Solution, Strong SCHEMBL5692533 0.94
Water SCHEMBL163315 0.94 ABCB11 (0.48) ABCB11HTTGSDMDCYP2E1PTGS1
Selenium SCHEMBL1617421 0.94 ABCB11 (0.48) ABCB11HTTGSDMDCYP2E1PTGS1
SCHEMBL3504207 0.94
SCHEMBL6422366 0.91 ABCB11 (0.46) ABCB11HTTGSDMDCYP2E1PTGS1
SCHEMBL10901417 0.88 HTT (0.43) ABCB11HTTGSDMDCYP2E1PTGS1
Diethylamine SCHEMBL8672658 0.84 ABCB11 (0.40) ABCB11HTTGSDMDCYP2E1PTGS1
SCHEMBL6195760 0.80
SCHEMBL24452951 0.76 ABCB11 (0.44) ABCB11HTTGSDMDCYP2E1PTGS1

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-5849392-A Thread wound golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0192930-B1 NATURAL RUBBER CONTAINING COMPOSITIONS WITH INCREASED TEAR STRENGTH THE FIRESTONE TIRE & RUBBER COMPANY (US) 1990-03-28 EP disclosed
EP-0139848-B1 ELASTOMERIC COMPOSITION COMPRISING NATURAL RUBBER FOR USE UNDER DYNAMIC, HIGH HEAT CONDITIONS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1988-03-02 EP disclosed
EP-0192930-A1 Natural rubber containing compositions with increased tear strength THE FIRESTONE TIRE & RUBBER COMPANY (US) 1986-09-03 EP disclosed
US-4585826-A CARBOXY-TERMINATED ACRYLONITRILE-BUTADIENE COPOLYMER THE FIRESTONE TIRE & RUBBER COMPANY (US) 1986-04-29 US disclosed
EP-0139848-A1 Elastomeric composition comprising natural rubber for use under dynamic, high heat conditions THE FIRESTONE TIRE & RUBBER COMPANY (US) 1985-05-08 EP disclosed
US-4465829-A ADDITION OF LOW MOLECULAR WEIGHT POLYISOBUTYLENE THE FIRESTONE TIRE & RUBBER COMPANY (US) 1984-08-14 US disclosed