SCHEMBL28779796

SCHEMBL28779796

CCCCCCCCCCOC(=O)C1CC2OC2CC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.47
PTPN1 P18031 1/20 0.47
PPP1CC P36873 1/20 0.47
NAAA Q02083 1/20 0.46
PPARG P37231 3/20 0.44
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.40
PPP5C P53041 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL9656931 1.00 PPM1B (0.47) PPM1BPTPN1PPP1CCNAAAPPARG
SCHEMBL16415728 1.00 PPM1B (0.47) PPM1BPTPN1PPP1CCNAAAPPARG
SCHEMBL9656347 0.94 NAAA (0.52) PPM1BPTPN1PPP1CCNAAACHRM2
SCHEMBL9655845 0.94 NAAA (0.52) PPM1BPTPN1PPP1CCNAAACHRM2
SCHEMBL9188266 0.94 NAAA (0.52) PPM1BPTPN1PPP1CCNAAACHRM2
SCHEMBL123577 0.94 NAAA (0.52) PPM1BPTPN1PPP1CCNAAACHRM2
SCHEMBL20536429 0.90 PPARG (0.40) PPM1BPTPN1PPP1CCNAAAPPARG
SCHEMBL9656983 0.89 PPM1B (0.50) PPM1BPTPN1PPP1CCNAAACHRM2
SCHEMBL1298030 0.89 PPARG (0.49) NAAAPPARGCHRM2CHRM4CHRM5
SCHEMBL1297329 0.89 PPARG (0.49) NAAAPPARGCHRM2CHRM4CHRM5

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-114716590-A Catalyst component for ethylene polymerization or copolymerization, preparation method and application thereof 任丘市利和科技发展有限公司 2022-07-08 CN disclosed