SCHEMBL420671

SCHEMBL420671

C1CCC2OC2C1.O=C(O)C1(CC2CO2)CCCCC1(CC1CO1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 2/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL157692 0.88 CYP2C19 (0.33) TP53CYP3A4CYP2C19
SCHEMBL19971067 0.78 MAPK1 (0.31) TP53MAPK1NFKB1CYP2C19THPO
SCHEMBL29424679 0.77 TP53 (0.68) TP53CYP3A4LMNA
SCHEMBL27383022 0.75 ALDH1A1 (0.30)
SCHEMBL20913174 0.71 MAPK1 (0.31) TP53MAPK1NFKB1CYP2C19THPO
SCHEMBL4879516 0.68
SCHEMBL1537799 0.68 CYP2C19 (0.50) TP53CYP3A4CYP2C19LMNABLM
SCHEMBL6429008 0.68 TP53 (0.33) TP53CYP3A4
Bicarbonate SCHEMBL10352400 0.67 TFPI2 (0.50) TP53MAPK1NFKB1CYP2C19THPO
Bicarbonate SCHEMBL2914629 0.67 TFPI2 (0.50) TP53MAPK1NFKB1CYP2C19THPO

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571561-B1 INFLATION MEDIA FOR IMPLANTS DFM LLC (US) 2018-10-17 EP disclosed
US-20170172735-A1 INFLATION MEDIA FOR IMPLANTS DIRECT FLOW (ASSIGNMENT FOR THE BENEFIT OF CREDITORS), LLC 2017-06-22 US disclosed
US-9433501-B2 Inflation media for implants DIRECT FLOW MEDICAL, INC. (US) 2016-09-06 US disclosed
EP-2571561-A2 INFLATION MEDIA FOR IMPLANTS Direct Flow Medical, Inc. (US) 2013-03-27 EP disclosed
US-20120022629-A1 INFLATION MEDIA FOR IMPLANTS DIRECT FLOW MEDICAL, INC. (US) 2012-01-26 US disclosed
WO-2011146759-A2 INFLATION MEDIA FOR IMPLANTS DIRECT FLOW MEDICAL, INC. (US) 2011-11-24 WO disclosed