SCHEMBL29254271

SCHEMBL29254271

CCOC(=O)C1CCC(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.47
PTPN1 P18031 1/20 0.47
PPP1CC P36873 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL31196227 1.00 PPM1B (0.47) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL7907171 0.92 ALDH1A1 (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL18627981 0.92 ALDH1A1 (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL31370678 0.92 ALDH1A1 (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL1297228 0.92 ALDH1A1 (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL18740467 0.92 ALDH1A1 (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL7907151 0.92 ALDH1A1 (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL1169394 0.92 MAPT (0.52) PPM1BPTPN1PPP1CCMAPTALDH1A1
Ethylene Glycol SCHEMBL1296443 0.88 ALDH1A1 (0.45) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL1297532 0.88 PPM1B (0.46) PPM1BPTPN1PPP1CCMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388409-A HDAC6/JNK3 double-target anti-Alzheimer disease inhibitor and preparation method and application thereof 山东大学 2024-07-26 CN disclosed
CN-118108734-A Sesquiterpene lactone derivative and application thereof 中国人民解放军海军军医大学 2024-05-31 CN disclosed