SCHEMBL20459524

SCHEMBL20459524

O=C(O)C1C(C(=O)N2CCNCC2)[C@@H]2CC=C[C@H]1O2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TFPI2 P48307 6/20 0.46
▸ PPP5C P53041 2/20 0.40
▸ PPP2CA P67775 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ CHRNB3 Q05901 1/20 0.38
▸ CHRNA6 Q15825 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.32
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ PPM1B O75688 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
SCHEMBL9880144 0.83 TFPI2 (0.45) TFPI2PPP5CPPP2CANPY4RCHRNB2
SCHEMBL21360341 0.83 TFPI2 (0.45) TFPI2PPP5CPPP2CANPY4RCHRNB2
SCHEMBL19388110 0.79 TFPI2 (0.45) TFPI2PPP5CPPM1B
SCHEMBL9880150 0.75 TFPI2 (0.73) TFPI2PPP5CPPP2CANPY4RCHRNB2
SCHEMBL2334396 0.75 TFPI2 (0.73) TFPI2PPP5CPPP2CANPY4RCHRNB2
SCHEMBL13311572 0.75 TFPI2 (0.73) TFPI2PPP5CPPP2CANPY4RCHRNB2
SCHEMBL13001974 0.70 CHRNB2 (0.43) TFPI2PPP5CPPP2CANPY4RCHRNB2
SCHEMBL2330162 0.70 TFPI2 (0.55) TFPI2PPP5CPPP2CANPY4RCHRNB2
SCHEMBL9880141 0.67 TFPI2 (0.56) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL19177682 0.67 TSHR (0.40) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3

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
EP-2870161-B1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF REPERFUSION INJURY LIXTE BIOTECHNOLOGY INC (US) 2018-08-08 — — EP disclosed
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