SCHEMBL28498797

SCHEMBL28498797

CCCCOC(=O)C1CCC2OC2C1C(=O)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.49
PTPN1 P18031 2/20 0.49
PPP1CC P36873 2/20 0.49
PPP5C P53041 1/20 0.45
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PPARG P37231 3/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL28484944 0.94 PPM1B (0.47) PPM1BPTPN1PPP1CCPPP5CCHRM2
SCHEMBL22973670 0.84 PPM1B (0.57) PPM1BPTPN1PPP1CCPPP5CTSHR
SCHEMBL27783538 0.81 PPM1B (0.71) PPM1BPTPN1PPP1CCPPP5CALDH1A1
SCHEMBL7540309 0.80 CYP3A4 (0.45) PPM1BPTPN1PPP1CCPPP5CALDH1A1
SCHEMBL9656900 0.79 PPM1B (0.46) PPM1BPTPN1PPP1CCPPP5CALDH1A1
SCHEMBL7669797 0.79 ALDH1A1 (0.52) PPM1BPTPN1PPP1CCALDH1A1ATM
SCHEMBL7669796 0.79 ALDH1A1 (0.52) PPM1BPTPN1PPP1CCALDH1A1ATM
SCHEMBL1296997 0.78 ALDH1A1 (0.44) PPM1BPTPN1PPP1CCALDH1A1ATM
SCHEMBL4735250 0.78 PPM1B (0.43) PPM1BPTPN1PPP1CCPPP5CALDH1A1
SCHEMBL4735247 0.78 PPM1B (0.43) PPM1BPTPN1PPP1CCPPP5CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936541-B Polyurethane gel material, polyurethane gel, biomimetic material and manufacturing method of polyurethane gel 三井化学株式会社 2022-08-02 CN disclosed
WO-2022145464-A1 CURABLE RESIN COMPOSITION, CURABLE RESIN COMPOSITION FOR 3D PRINTERS, AND CURED RESIN PRODUCT 三井化学株式会社 2022-07-07 WO disclosed
CN-111936541-A Polyurethane gel material, polyurethane gel, biomimetic material and manufacturing method of polyurethane gel 三井化学株式会社 2020-11-13 CN disclosed
CN-111902451-A Polyurethane gel material, polyurethane gel, biomimetic material and manufacturing method of polyurethane gel 三井化学株式会社 2020-11-06 CN disclosed