SCHEMBL28403234

SCHEMBL28403234

CCOC(=O)C1[C@@H]2COC[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.49
PTPN1 P18031 2/20 0.49
PPP1CC P36873 1/20 0.49
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1614134 1.00 PPM1B (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL20489196 1.00 PPM1B (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL16405665 1.00 PPM1B (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL34472936 0.92 PPM1B (0.46) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL34468392 0.87 PPM1B (0.46) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL32677632 0.81 PPM1B (0.44) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL32677631 0.81 PPM1B (0.44) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL15712143 0.80 PPM1B (0.53) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL23780231 0.78
SCHEMBL5778032 0.78 PPM1B (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107892684-B Quinazoline derivatives, pharmaceutical compositions thereof, and use as medicaments 锦州奥鸿药业有限责任公司 2020-05-26 CN disclosed