SCHEMBL8465333

SCHEMBL8465333

Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=[N+]([O-])[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
HSD17B10 Q99714 1/20 0.52
FBP1 P09467 1/20 0.43
TSHR P16473 4/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
TLR9 Q9NR96 2/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPRT1 P00492 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL37146 0.84 ACHE (0.57) ACHETSHRTDP1GAACA1
SCHEMBL12762110 0.84 ACHE (0.57) ACHETSHRTDP1GAACA1
Hydrochloric Acid SCHEMBL482494 0.81 ACHE (0.53) ACHETSHRTDP1GAACA1
Water SCHEMBL1765019 0.81 ACHE (0.53) ACHETSHRTDP1GAACA1
Hydrogen Sulfide SCHEMBL29644447 0.81 ACHE (0.53) ACHETSHRTDP1GAACA1
Iodide SCHEMBL8433250 0.81 ACHE (0.53) ACHETSHRTDP1GAACA1
Bromide SCHEMBL4916423 0.81 ACHE (0.53) ACHETSHRTDP1GAACA1
Acetic Acid SCHEMBL1764860 0.80 ALDH1A1 (0.44) ACHEHSD17B10TDP1GAACA1
Fluoride Ion SCHEMBL2230337 0.78 ACHE (0.50) ACHETSHRTDP1CA1CA2
SCHEMBL7575507 0.78 GAA (0.48) ACHECYP3A4TDP1TLR9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001932-A ACRYLIC ESTER COPOLYMER WITH VINYL ETHER, VINYL ESTER COPOLYMERS FOR RUBBER BLENDS NIPPON MEKTRON, LIMITED (JP) 1999-12-14 US disclosed
EP-0755952-B1 Acrylic copolymer elastomer, its blend rubber and blend rubber composition NIPPON MEKTRON KK (JP) 1999-10-20 EP disclosed
US-5744562-A GOOD HEAT RESISTANCE AND AMINE RESISTANCE WITH FLUORINE-CONTAINING ELASTOMER NIPPON MEKTRON, LIMITED (JP) 1998-04-28 US disclosed
EP-0755952-A2 Acrylic copolymer elastomer, its blend rubber and blend rubber composition NIPPON MEKTRON, LTD. (JP) 1997-01-29 EP disclosed
EP-0039365-B1 EPICHLOROHYDRIN ELASTOMER COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-06-04 EP disclosed
US-4343861-A Fluoroelastomer/polyepichlorohydrin elastomer articles MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-08-10 US disclosed
EP-0039365-A4 EPICHLOROHYDRIN ELASTOMER COMPOSITIONS. MINNESOTA MINING & MFG (US) 1982-03-03 EP disclosed
EP-0039365-A1 EPICHLOROHYDRIN ELASTOMER COMPOSITIONS. MINNESOTA MINING & MFG (US) 1981-11-11 EP disclosed
US-4293663-A SHAPING, CURING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-10-06 US disclosed
WO-1981001150-A1 EPICHLOROHYDRIN ELASTOMER COMPOSITIONS MINNESOTA MINING & MFG (US) 1981-04-30 WO disclosed