SCHEMBL30148845

SCHEMBL30148845

CCOC(=O)C1CC12CC1CCC2O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
FPR2 P25090 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL1634132 0.68 CYP3A4 (0.40) PPM1BPTPN1PPP1CCCYP3A4CYP2D6
SCHEMBL1633796 0.68 MAPT (0.35) PPM1BPTPN1PPP1CCCYP3A4CYP2D6
SCHEMBL30148882 0.68 PPM1B (0.34) PPM1BPTPN1PPP1CCCYP3A4CYP2D6
SCHEMBL6997672 0.67 PPM1B (0.38) PPM1BPTPN1PPP1CCCYP3A4CYP2D6
SCHEMBL294716 0.67 LMNA (0.43) PPM1BPTPN1PPP1CCCYP3A4CYP2D6
SCHEMBL1635993 0.67 PPM1B (0.36) PPM1BPTPN1PPP1CCCYP3A4CYP2D6
SCHEMBL17536921 0.66 MAPT (0.38) PPM1BPTPN1PPP1CCCYP3A4CYP2D6
SCHEMBL30148875 0.66 CYP3A4 (0.35) PPM1BPTPN1PPP1CCCYP3A4CYP2D6
SCHEMBL3691417 0.65 ALDH1A1 (0.47) PPM1BPTPN1PPP1CCCYP3A4CYP2D6
SCHEMBL6574520 0.65 MAPT (0.40) PPM1BPTPN1PPP1CCCYP3A4CYP2D6

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-115521325-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-12-27 CN disclosed