SCHEMBL24319905

SCHEMBL24319905

CCCCCOCc1cnc(C)c(O)c1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.41
SGPL1 O95470 2/20 0.38
NOS1 P29475 1/20 0.38
NR5A1 Q13285 1/20 0.37
PDXK O00764 1/20 0.37
LTA4H P09960 1/20 0.36
ESR1 P03372 1/20 0.35
PTGS1 P23219 1/20 0.35
ACP1 P24666 1/20 0.35
PDE4A P27815 1/20 0.35
P2RX1 P51575 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
HDAC1 Q13547 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AOX1 Q06278 1/20 0.34

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
SCHEMBL14646864 0.89 LMNA (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11625665 0.79 NOS1 (0.36) SGPL1NOS1NR5A1ESR1PTGS1
SCHEMBL11622427 0.79 ESR1 (0.57) KDM4EALDH1A1HPGDLMNASGPL1
SCHEMBL11625885 0.79 PLA2G2A (0.40) NOS1ESR1MEN1KMT2A
SCHEMBL17119505 0.77 KDM4E (0.38) KDM4EALDH1A1LMNANOS1NR5A1
SCHEMBL21916476 0.77 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13498731 0.76 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3442482 0.73 HPGD (0.79) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13176882 0.72 ESR1 (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL14646865 0.72 LMNA (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA

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-2022081777-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS VANDERBILT UNIVERSITY (US) 2022-04-21 WO disclosed