SCHEMBL23792292

SCHEMBL23792292

C=C(CC(C)C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
KMO O15229 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TSHR P16473 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL15086054 0.79 MAOA (0.50) MAOAMAOBTSHR
SCHEMBL2016516 0.79 TSHR (0.47) HPGDMAOAMAOBTSHRHDAC3
SCHEMBL4109066 0.78 KMO (0.65) HPGDKMOTSHRHDAC3HDAC4
SCHEMBL16795752 0.76 TSHR (0.48) HPGDKMOMAOAMAOBTSHR
SCHEMBL20619804 0.76 MAOA (0.44) HPGDMAOAMAOBTSHRHDAC3
SCHEMBL17411406 0.75 TSHR (0.47) HPGDKMOMAOAMAOBTSHR
SCHEMBL5165126 0.75 HTT (0.45) HPGD
SCHEMBL21294933 0.75 TSHR (0.47) HPGDKMOMAOAMAOBTSHR
SCHEMBL2019475 0.75 TSHR (0.47) HPGDGRNSORT1KMOTSHR
SCHEMBL990763 0.75 TSHR (0.47) HPGDKMOMAOAMAOBTSHR

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-2021178488-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. (US) 2021-09-10 WO disclosed