SCHEMBL29066151

SCHEMBL29066151

CCCC(=O)OC(=O)C(C)C(C)C=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.36
LMNA P02545 3/20 0.32
ALOX15 P16050 1/20 0.31
PRKCA P17252 4/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL383409 0.80 ALDH1A1 (0.58) ALDH1A1MAPTLMNAALOX15CES2
SCHEMBL29066150 0.80
SCHEMBL182125 0.76 ALDH1A1 (0.64) ALDH1A1MAPTLMNAALOX15CES2
SCHEMBL28181878 0.74 ALDH1A1 (0.61) ALDH1A1MAPTLMNAALOX15CES2
SCHEMBL183594 0.74 ALDH1A1 (0.61) ALDH1A1MAPTLMNAALOX15CES2
SCHEMBL9619793 0.72 ALDH1A1 (0.58) ALDH1A1MAPTLMNAALOX15CES2
SCHEMBL5189372 0.72 ALDH1A1 (0.58) ALDH1A1MAPTLMNAALOX15CES2
SCHEMBL2555978 0.72 ALDH1A1 (0.58) ALDH1A1MAPTLMNAALOX15CES2
SCHEMBL29090828 0.72 ALDH1A1 (0.58) ALDH1A1MAPTLMNAALOX15CES2
SCHEMBL248666 0.72 ALDH1A1 (0.58) ALDH1A1MAPTLMNAALOX15CES2

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-116456971-A Gastric retentive pharmaceutical dosage forms 南京三迭纪医药科技有限公司 2023-07-18 CN disclosed