SCHEMBL28601681

SCHEMBL28601681

C=CCCC(C)OCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6310703 0.82 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL8628983 0.79 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL6303425 0.78 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL8628985 0.77 SMN1; SMN2 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL17644166 0.76 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL15064931 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL29119785 0.76 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL12722456 0.75 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL998786 0.75
SCHEMBL18095076 0.75 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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-113174010-A Copolymer, rubber composition and tire 住友橡胶工业株式会社 2021-07-27 CN disclosed