SCHEMBL8070069

SCHEMBL8070069

COc1cccc2c(C(=O)c3ccc(F)c4ccccc34)c(C)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HPGD P15428 6/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46

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
SCHEMBL7782575 0.86 CNR2 (0.49) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL7784376 0.86 HPGD (0.46) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL7218658 0.75 NR4A2 (0.59) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL8608354 0.73 CNR1 (0.47) CNR2CNR1
SCHEMBL7217500 0.72 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL5237030 0.67 NR4A2 (0.59) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL9452783 0.67 KDM4E (0.63) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL29956415 0.67 ALDH1A1 (0.62) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL30764864 0.65 BRD4 (0.50) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL25894748 0.65 BRD4 (0.50) ALDH1A1HPGDKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013648-A IMMUNOMODULATORS SANOFI (FR) 2000-01-11 US disclosed
EP-0833818-A1 CB 2? RECEPTOR AGONIST COMPOUNDS SANOFI (FR) 1998-04-08 EP disclosed
EP-0775114-A1 PROCESS FOR MAKING ANTIMICROBIAL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1997-05-28 EP disclosed
WO-1997000860-A1 CB2 RECEPTOR AGONIST COMPOUNDS SANOFI (FR) 1997-01-09 WO disclosed
WO-1996004247-A1 PROCESS FOR MAKING ANTIMICROBIAL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-02-15 WO disclosed