SCHEMBL13002125

SCHEMBL13002125

CN1CCN(C(=O)C2C(C(=O)CCC(Cl)(Cl)Cl)[C@H]3CC[C@@H]2O3)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TFPI2 P48307 7/20 0.60
▸ PPP5C P53041 2/20 0.60
▸ PPP2CA P67775 1/20 0.60
▸ NPY4R P50391 1/20 0.60
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ PMP22 Q01453 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 0.79 TFPI2 (0.59) TFPI2PPP5CPPP2CANPY4RHTT
SCHEMBL26377824 0.79 TFPI2 (0.59) TFPI2PPP5CPPP2CANPY4RHTT
SCHEMBL9880170 0.79 TFPI2 (0.59) TFPI2PPP5CPPP2CANPY4RHTT
SCHEMBL1572846 0.78 TFPI2 (0.74) TFPI2PPP5CPPP2CANPY4RHTT
SCHEMBL20459539 0.77 TFPI2 (0.56) TFPI2PPP5CPPP2CANPY4RHTT
Lb-100 SCHEMBL9880148 0.76 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RHTT
Lb-100 SCHEMBL13311584 0.76 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RHTT
Lb-100 SCHEMBL12390164 0.76 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RHTT
Lb-100 SCHEMBL19512780 0.76 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RHTT
Lb-100 SCHEMBL26377801 0.76 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
WO-2010147612-A1 METHODS OF MODULATING CELL REGULATION BY INHIBITING P53 LIXTE BIOTECHNOLOGY, INC. (US) 2010-12-23 — — WO disclosed
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