SCHEMBL8026997

SCHEMBL8026997

COc1cc2c(c(C)c1OC)CC(C)CC2=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KLK7 P49862 1/20 0.43
ATM Q13315 1/20 0.41
ACHE P22303 4/20 0.40
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.36
NOD2 Q9HC29 1/20 0.36

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
SCHEMBL8043165 0.79 KMT2A (0.40) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL16870308 0.72 MEN1 (0.37) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL1699532 0.71 ACHE (0.63) KDM4EALDH1A1HPGDACHEBRD4
SCHEMBL7998453 0.70 KDM4E (0.54) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL6113045 0.70 KDM4E (0.64) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL7172176 0.69 ALDH1A1 (0.49) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL16870309 0.69 MAOA (0.41) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL13626344 0.69 TUBB4A (0.40) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL11708730 0.68 BRD4 (0.46) KDM4EALDH1A1HPGDBRD4GAA
SCHEMBL4132763 0.68 KDM4E (0.51) KMT2AMEN1KDM4EALDH1A1HPGD

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-6124498-A Hydroxynaphthoic acids and derivatives UNIVERSITY OF NEW MEXICO (US) 2000-09-26 US disclosed