SCHEMBL8623892

SCHEMBL8623892

OCCC(=Cc1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.53
LMNA P02545 2/20 0.50
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
GSK3B P49841 2/20 0.49
BACE1 P56817 2/20 0.49
NR4A1 P22736 1/20 0.49

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
SCHEMBL8651711 0.84 NR1H4 (0.54) NR1H4LMNACYP1A2PTGS1SLC6A2
SCHEMBL6325877 0.81 NQO2 (0.51) LMNACYP1A2NPC1RAB9AKDM4E
SCHEMBL6325874 0.81 NQO2 (0.51) LMNACYP1A2NPC1RAB9AKDM4E
SCHEMBL7462863 0.79 MTNR1A (0.50)
SCHEMBL7462866 0.79 MTNR1A (0.50)
SCHEMBL8497644 0.76 GAA (0.50) LMNAKDM4EGAAALDH1A1PKM
SCHEMBL6955487 0.76 NR1H4 (0.70) NR1H4LMNACYP1A2PTGS1SLC6A2
SCHEMBL8913229 0.75 MEN1 (0.62) NR1H4LMNANPC1RAB9AKDM4E
SCHEMBL8913233 0.75 MEN1 (0.62) NR1H4LMNANPC1RAB9AKDM4E
SCHEMBL10990566 0.75 LMNA (0.59) NR1H4LMNACYP1A2PTGS1SLC6A2

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-5750576-A BONE DISORDERS ORION-YHTYMA OY (FI) 1998-05-12 US disclosed