SCHEMBL20214915

SCHEMBL20214915

C=C(C1C2CCC(O2)C1C(=O)OCOC(=O)OCC)N1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 4/20 0.47
▸ PTPN1 P18031 3/20 0.47
▸ PPP1CC P36873 3/20 0.47
▸ PPP5C P53041 2/20 0.42
▸ PPP2CA P67775 1/20 0.42
▸ TFPI2 P48307 1/20 0.42
▸ NPY4R P50391 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL21851614 0.88 TFPI2 (0.56) PPM1BPTPN1PPP1CCPPP5CPPP2CA
SCHEMBL18235539 0.88 TFPI2 (0.56) PPM1BPTPN1PPP1CCPPP5CPPP2CA
SCHEMBL18235534 0.88 TFPI2 (0.56) PPM1BPTPN1PPP1CCPPP5CPPP2CA
SCHEMBL18235532 0.76 TFPI2 (0.59) PPM1BPTPN1PPP1CCPPP5CPPP2CA
SCHEMBL20215684 0.76 PPM1B (0.48) PPM1BPTPN1PPP1CCPPP5CPPP2CA
SCHEMBL18073218 0.75 TFPI2 (0.54) PPM1BPTPN1PPP1CCPPP5CPPP2CA
SCHEMBL18235540 0.75 TFPI2 (0.60) PPM1BPTPN1PPP1CCPPP5CPPP2CA
SCHEMBL26377839 0.75 TFPI2 (0.60) PPM1BPTPN1PPP1CCPPP5CPPP2CA
SCHEMBL21851608 0.73 TFPI2 (0.54) PPM1BPTPN1PPP1CCPPP5CPPP2CA
SCHEMBL22642272 0.72 TFPI2 (0.56) PPM1BPTPN1PPP1CCPPP5CPPP2CA

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
US-9988394-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY INC. (US) 2018-06-05 — — US disclosed
Send feedback