SCHEMBL19979671

SCHEMBL19979671

C=C(OC(C)(C)C)N1CCN(C(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TFPI2 P48307 9/20 0.62
▸ PPP5C P53041 2/20 0.62
▸ PPP2CA P67775 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ PPM1B O75688 3/20 0.43
▸ PTPN1 P18031 3/20 0.43
▸ PPP1CC P36873 3/20 0.43

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
SCHEMBL9880147 0.86 TFPI2 (0.65) TFPI2PPP5CPPP2CANPY4RKDM4E
SCHEMBL12443549 0.86 TFPI2 (0.65) TFPI2PPP5CPPP2CANPY4RKDM4E
SCHEMBL18756836 0.83 TFPI2 (0.60) TFPI2PPP5CPPP2CANPY4RKDM4E
Lb-100 SCHEMBL12390164 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RKDM4E
Lb-100 SCHEMBL9880148 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RKDM4E
Lb-100 SCHEMBL19512780 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RKDM4E
Lb-100 SCHEMBL13311584 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RKDM4E
Lb-100 SCHEMBL26377801 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RKDM4E
Lb-100 SCHEMBL19501013 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RKDM4E
Lb-100 SCHEMBL2832350 0.77 TFPI2 (1.00) TFPI2PPP5CPPP2CANPY4RKDM4E

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-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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