SCHEMBL22642272

SCHEMBL22642272

CN1CCN(C(=O)C2C(C(=O)OCOC(=O)C(C)(C)C)C3CC[C@@H]2O3)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

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
▸ PPM1B O75688 3/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ PPP1CC P36873 3/20 0.40
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ENO1 P06733 1/20 0.32

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
SCHEMBL20215635 1.00 TFPI2 (0.56) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL18235533 1.00 TFPI2 (0.56) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL18235531 1.00 TFPI2 (0.56) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL26377959 0.87 TFPI2 (0.40) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL18235540 0.86 TFPI2 (0.60) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL26377839 0.86 TFPI2 (0.60) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL18235532 0.85 TFPI2 (0.59) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL21851614 0.83 TFPI2 (0.56) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL18235534 0.83 TFPI2 (0.56) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL18235539 0.83 TFPI2 (0.56) TFPI2PPP5CPPP2CANPY4RPPM1B

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-3736275-A1 OXABICYCLOHEPTANE PRODRUGS FOR USE IN TREATING CANCER Lixte Biotechnology, Inc. (US) 2020-11-11 — — EP disclosed
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