SCHEMBL8043165

SCHEMBL8043165

CCCc1c2c(cc(OC)c1OC)C(=O)CC(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
KLK7 P49862 1/20 0.39
ACHE P22303 4/20 0.36
ALOX5 P09917 3/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ATM Q13315 2/20 0.33
P2RX7 Q99572 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8026997 0.79 KMT2A (0.44) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL16870308 0.67 MEN1 (0.37) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL1699532 0.66 ACHE (0.63) KDM4EALDH1A1HPGDACHELMNA
SCHEMBL16870309 0.64 MAOA (0.41) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL13626344 0.64 TUBB4A (0.40) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL14722618 0.63 KDM4E (0.39) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL14722619 0.63 KDM4E (0.39) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL22829411 0.63 ACHE (0.44) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL30815971 0.63 ACHE (0.44) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL6113045 0.62 KDM4E (0.64) 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