SCHEMBL28616308

SCHEMBL28616308

CC(C)CCC(C)C(=O)OOC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.31
GABRR1 P24046 2/20 0.30
CYP1A2 P05177 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
SCHEMBL28616311 0.89 BLM (0.32) BLM
SCHEMBL29196704 0.83 BLM (0.41) BLMALDH1A1TSHRTDP1CA1
SCHEMBL19452469 0.79 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10TDP1CA1
SCHEMBL26328986 0.79 NOS1 (0.37) BLMTDP1CA1GABRR1CYP1A2
SCHEMBL9566553 0.78 BLM (0.38) BLMCA1
SCHEMBL11431845 0.76 CYP2D6 (0.33) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL21417 0.73 TSHR (0.39) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11488550 0.73 SMN1; SMN2 (0.34) ALDH1A1TDP1CA1
SCHEMBL9775298 0.72 TSHR (0.53) ALDH1A1TSHRTDP1
SCHEMBL28213123 0.72 TSHR (0.53) ALDH1A1TSHRTDP1

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-113302734-A Curable composition and cured product 可舒磨润滑油株式会社 2021-08-24 CN disclosed