SCHEMBL19979625

SCHEMBL19979625

COC(=O)C1C(C(=O)N2CCN(C)CC2)[C@@H]2CCC[C@H]1O2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TFPI2 P48307 6/20 0.62
▸ PPP5C P53041 2/20 0.62
▸ PPP2CA P67775 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ TSHR P16473 2/20 0.50
▸ PPM1B O75688 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ PPP1CC P36873 1/20 0.50
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL12390213 0.94 TFPI2 (0.70) TFPI2PPP5CPPP2CANPY4RTSHR
SCHEMBL9880159 0.94 TFPI2 (0.70) TFPI2PPP5CPPP2CANPY4RTSHR
SCHEMBL26377804 0.94 TFPI2 (0.70) TFPI2PPP5CPPP2CANPY4RTSHR
SCHEMBL9880175 0.84 TFPI2 (0.59) TFPI2PPP5CPPP2CANPY4RTSHR
SCHEMBL26377916 0.78 PPM1B (0.55) TFPI2PPP5CPPP2CANPY4RTSHR
Lb-100 SCHEMBL9880148 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RTSHR
Lb-100 SCHEMBL13311584 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RTSHR
Lb-100 SCHEMBL19512780 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RTSHR
Lb-100 SCHEMBL12390164 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RTSHR
Lb-100 SCHEMBL26377801 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RTSHR

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 2 patents. 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
EP-2714924-B1 HDAC Inhibitors for use in the treatment of Gaucher's disease, von Hippel-Lindau disease, phaeochromocytoma and paragangliomas. LIXTE BIOTECHNOLOGY INC (US) 2018-03-21 — — EP disclosed
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