SCHEMBL28613858

SCHEMBL28613858

CCCCC(C#N)CCCCC#N

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
DNM1 Q05193 2/20 0.33
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 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
SCHEMBL3626630 0.98 TSHR (0.56) TSHRDNM1OPRM1ALDH1A1TDP1
SCHEMBL21306168 0.93 TSHR (0.56) TSHRDNM1OPRM1MAPTLMNA
SCHEMBL24562642 0.93 TSHR (0.62) TSHRDNM1ALDH1A1TDP1
SCHEMBL21781705 0.91 TSHR (0.59) TSHRDNM1ALDH1A1TDP1
SCHEMBL31114955 0.88 TSHR (0.50) TSHRALDH1A1TDP1MAPT
SCHEMBL1072157 0.88 TSHR (0.56) TSHRDNM1OPRM1ALDH1A1TDP1
SCHEMBL11198319 0.88 TSHR (0.56) TSHRDNM1OPRM1MAPTLMNA
SCHEMBL28789290 0.88 TSHR (0.52) TSHRDNM1OPRM1
SCHEMBL10155552 0.87 TSHR (0.46) TSHRDNM1OPRM1LMNA
SCHEMBL17935684 0.87 TSHR (0.43) TSHRALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113299973-A Lithium ion battery and application thereof 珠海冠宇电池股份有限公司 2021-08-24 CN disclosed