SCHEMBL9814488

SCHEMBL9814488

CC(C)(CCNCCCCCCCNCCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9814784 1.00 CHRM2 (0.37) CHRM2ALDH1A1TSHRL3MBTL1CYP1A2
SCHEMBL9814581 1.00 CHRM2 (0.37) CHRM2ALDH1A1TSHRL3MBTL1CYP1A2
SCHEMBL9814476 0.98 CHRM2 (0.34) CHRM2ALDH1A1TSHRL3MBTL1CYP1A2
SCHEMBL9814804 0.94 ALDH1A1 (0.33) CHRM2ALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL9814489 0.89 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL9814559 0.83 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL9293130 0.82 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL9814471 0.81 CHRM2 (0.34) CHRM2ALDH1A1
SCHEMBL9175764 0.81 CHRM2 (0.34) CHRM2ALDH1A1
SCHEMBL9814480 0.81 CHRM2 (0.34) CHRM2ALDH1A1

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
EP-0290883-B1 MODIFIED DIENE POLYMER RUBBERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
US-4885338-A REACTING ALKALI METAL-CONTAINING CONJUGATED DIENE POLYMER WITH NITROALKYL ACRYLATE OR NITROAMINO COMPOUND; TIRE TREADS, IMPACT RESILIENCE, REDUCED HARDNESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-05 US disclosed
EP-0290883-A1 Modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-17 EP disclosed