SCHEMBL28526338

SCHEMBL28526338

CCCCC(CC)CC(O)(CCCCCCCCCO)CC(CC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 2/20 0.37
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL27883562 0.84 ALDH1A1 (0.45) ALDH1A1LMNATSHRTDP1CYP3A4
SCHEMBL11125701 0.83 ALDH1A1 (0.52) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL28178078 0.79 ALDH1A1 (0.58) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3100332 0.78 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL589811 0.78 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL3880861 0.78 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL3104073 0.78 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL14840542 0.78 ALDH1A1 (0.47) ALDH1A1LMNATSHRMEN1KMT2A
1,6-Hexanediol SCHEMBL17626476 0.77 ALDH1A1 (0.82) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL11607543 0.76 LMNA (0.45) ALDH1A1LMNATSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113930273-A Lubricating oil composition for DHT structure gearbox and application thereof 中国石油化工股份有限公司 2022-01-14 CN claimed
CN-112442412-A Lubricating oil composition for gearbox of hybrid electric vehicle 中国石油化工股份有限公司 2021-03-05 CN claimed
CN-112442412-B Lubricating oil composition for gearbox of hybrid electric vehicle 中国石油化工股份有限公司 2023-03-14 CN disclosed