SCHEMBL28197827

SCHEMBL28197827

C=CCCCCCC(C)OCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL28601681 0.87 ALDH1A1 (0.44) ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL27500064 0.80 ALDH1A1 (0.36) ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL30686704 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1SMN1; SMN2LPAR2
SCHEMBL30686703 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1SMN1; SMN2LPAR2
SCHEMBL30655699 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1SMN1; SMN2LPAR2
SCHEMBL10944509 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1SMN1; SMN2LPAR2
SCHEMBL29672314 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1SMN1; SMN2LPAR2
SCHEMBL17644166 0.78 ALDH1A1 (0.37) ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL16423754 0.78 TSHR (0.60) ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL16424440 0.78 TSHR (0.60) ALDH1A1TSHRTDP1SMN1; SMN2

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-105142731-B Cellulose ether containing cation group KAO CORP. (JP) 2018-02-09 CN disclosed