SCHEMBL20214917

SCHEMBL20214917

CC(=O)OC(C)OC(=O)C1C2CCC(O2)C1C(=O)N1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TFPI2 P48307 6/20 0.59
▸ PPP5C P53041 2/20 0.59
▸ PPP2CA P67775 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ PPM1B O75688 3/20 0.35
▸ PTPN1 P18031 3/20 0.35
▸ PPP1CC P36873 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL18235542 0.87 TFPI2 (0.55) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL26377841 0.87 TFPI2 (0.55) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL12390213 0.80 TFPI2 (0.70) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL9880159 0.80 TFPI2 (0.70) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL26377804 0.80 TFPI2 (0.70) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL26377839 0.79 TFPI2 (0.60) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL18235540 0.79 TFPI2 (0.60) TFPI2PPP5CPPP2CANPY4RPPM1B
SCHEMBL18073218 0.76 TFPI2 (0.54) TFPI2PPP5CPPP2CANPY4RPPM1B
Lb-100 SCHEMBL13311584 0.75 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RPPM1B
Lb-100 SCHEMBL19512780 0.75 TFPI2 (1.00) 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
US-9988394-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY INC. (US) 2018-06-05 — — US disclosed
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