SCHEMBL7906033

SCHEMBL7906033

N#CCCCCCC(O)C#N

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
HMGCR P04035 1/20 0.32
GBA1 P04062 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
SCHEMBL7894553 0.97 TSHR (0.39) TSHRALDH1A1TDP1MAPT
SCHEMBL7902131 0.90
SCHEMBL197323 0.81
SCHEMBL14604144 0.81 TRPV1 (0.42) TSHRALDH1A1TDP1USP2CYP3A4
SCHEMBL15912048 0.81 TRPV1 (0.42) TSHRALDH1A1TDP1USP2CYP3A4
SCHEMBL15912049 0.81 TRPV1 (0.42) TSHRALDH1A1TDP1USP2CYP3A4
SCHEMBL13937394 0.81
SCHEMBL6849064 0.80 LMNA (0.32) TSHRALDH1A1
SCHEMBL19039347 0.79 USP2 (0.43) TSHRALDH1A1TDP1USP2CYP3A4
SCHEMBL5353586 0.78 GPR84 (0.45) CYP3A4MAPTHMGCR

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-6197867-B1 DINITRILE PROCESSING AIDS THE GOODYEAR TIRE & RUBBER COMPANY 2001-03-06 US claimed
US-6197867-B1 DINITRILE PROCESSING AIDS THE GOODYEAR TIRE & RUBBER COMPANY 2001-03-06 US disclosed
EP-0965613-A1 Rubber compositions containing organo-nitriles THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-12-22 EP disclosed