SCHEMBL28292469

SCHEMBL28292469

CCCC(C)(CCC)C(CCC)(CCC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GGT1 P19440 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FDPS P14324 1/20 0.32
ACLY P53396 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL27674354 0.97 ALDH1A1 (0.35) ALDH1A1TSHRLMNAHSD17B10CYP2D6
Phosphine SCHEMBL29240835 0.97 ALDH1A1 (0.35) ALDH1A1TSHRLMNAHSD17B10CYP2D6
SCHEMBL14613986 0.87 ALDH1A1 (0.35) ALDH1A1TSHRLMNAHSD17B10CYP2D6
SCHEMBL1784541 0.86 FFAR3 (0.38) ALDH1A1TSHRLMNAHSD17B10CYP2D6
SCHEMBL28436253 0.84 ALDH1A1 (0.36) ALDH1A1TSHRLMNAHSD17B10CYP2D6
Ammonia Solution, Strong SCHEMBL27621076 0.81 AKR1B1 (0.34) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL6469110 0.81 ALDH1A1 (0.38) ALDH1A1TSHRLMNAHSD17B10CYP2D6
SCHEMBL27862183 0.80 ALDH1A1 (0.34) ALDH1A1TSHRLMNAHSD17B10CYP2D6
SCHEMBL11134442 0.79 ALDH1A1 (0.37) ALDH1A1TSHRLMNAHSD17B10KDM4C
SCHEMBL28723782 0.78 ALDH1A1 (0.33) ALDH1A1TSHRLMNAHSD17B10CYP2D6

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-118108936-A Preparation method of medical polycarbonate 江阴嘉鸿医疗科技有限公司 2024-05-31 CN disclosed
CN-109952360-A Quantum dot dispersion liquid, self-luminous photosensitive polymer combination, the colour filter and image display device manufactured using it 东友精细化工有限公司 2019-06-28 CN disclosed
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed