SCHEMBL28306372

SCHEMBL28306372

C=C(C(=O)OC)C1CCC2OC2C1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
ALDH1A1 P00352 1/20 0.32
PPP5C P53041 1/20 0.32

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
SCHEMBL6212412 0.74 PPP5C (0.46) PPM1BPTPN1PPP1CCPPP5C
SCHEMBL352711 0.71 PPM1B (0.39) PPM1BPTPN1PPP1CCALDH1A1
Butadiene SCHEMBL28596980 0.71 PPP5C (0.40) PPM1BPTPN1PPP1CCPPP5C
SCHEMBL11791640 0.71 PPM1B (0.48) PPM1BPTPN1PPP1CC
SCHEMBL27695287 0.68 EPHX1 (0.48) ALDH1A1
SCHEMBL29142889 0.68 ALDH1A1 (0.37) ALDH1A1
SCHEMBL29062383 0.67 ALDH1A1 (0.39) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL21436920 0.67 PPM1B (0.53) PPM1BPTPN1PPP1CC
SCHEMBL27949950 0.67 ALDH1A1 (0.35) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL27681202 0.67 ALDH1A1 (0.35) ALDH1A1

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-110018613-A Resin combination 味之素株式会社 2019-07-16 CN disclosed