SCHEMBL20459539

SCHEMBL20459539

C=C(OCC(Cl)(Cl)Cl)C1C(C(=O)N2CCN(C)CC2)[C@@H]2CC[C@H]1O2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TFPI2 P48307 6/20 0.56
▸ PPP5C P53041 2/20 0.56
▸ PPP2CA P67775 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PPM1B O75688 2/20 0.32
▸ PTPN1 P18031 2/20 0.32
▸ PPP1CC P36873 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CTSB P07858 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 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
SCHEMBL11885821 0.88 TFPI2 (0.59) TFPI2PPP5CPPP2CANPY4RHTT
SCHEMBL9880170 0.88 TFPI2 (0.59) TFPI2PPP5CPPP2CANPY4RHTT
SCHEMBL26377824 0.88 TFPI2 (0.59) TFPI2PPP5CPPP2CANPY4RHTT
SCHEMBL13002125 0.77 TFPI2 (0.60) TFPI2PPP5CPPP2CANPY4RHTT
SCHEMBL14135374 0.76 TFPI2 (0.77) TFPI2PPP5CPPP2CANPY4RHTT
SCHEMBL1572846 0.75 TFPI2 (0.74) TFPI2PPP5CPPP2CANPY4RHTT
Lb-100 SCHEMBL12390164 0.73 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RHTT
Lb-100 SCHEMBL13311584 0.73 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RHTT
Lb-100 SCHEMBL19512780 0.73 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RHTT
Lb-100 SCHEMBL9880148 0.73 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RHTT

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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