SCHEMBL28113712

SCHEMBL28113712

CCC(CO)(CO)CO.OCCCCCCCCCO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.36
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 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
1,5-Pentanediol SCHEMBL484472 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL6673802 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10MEN1
1,6-Hexanediol SCHEMBL2733820 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10MEN1
1,6-Hexanediol SCHEMBL10441623 0.97 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHSD17B10MEN1
1,4-Butanediol SCHEMBL6034635 0.97 SMN1; SMN2 (0.47) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL21409482 0.94 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10MEN1
Octanol SCHEMBL28203059 0.92 LMNA (0.65) ALDH1A1TSHRLMNAHSD17B10MEN1
Dodecanol SCHEMBL27628573 0.92 LMNA (0.65) ALDH1A1TSHRLMNAHSD17B10MEN1
1,5-Pentanediol SCHEMBL8982038 0.88 LMNA (0.40) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL8369170 0.87 LMNA (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1

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-106317369-A Aqueous polyurethane resin dispersion and use thereof 宇部兴产株式会社 2017-01-11 CN disclosed