SCHEMBL11544686

SCHEMBL11544686

Cc1c(CCCCCC(=O)Cl)cccc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.41
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
SLC16A3 O15427 2/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL11222105 0.95 NR4A1 (0.43) NR4A1ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL11234825 0.90 NR4A1 (0.44) NR4A1MRGPRX4SLC16A3MAPT
SCHEMBL11223554 0.90 NR4A1 (0.44) NR4A1MRGPRX4SLC16A3MAPT
SCHEMBL11226222 0.90 NR4A1 (0.44) NR4A1MRGPRX4SLC16A3MAPT
SCHEMBL11225037 0.90 NR4A1 (0.44) NR4A1MRGPRX4SLC16A3MAPT
SCHEMBL11236594 0.90 NR4A1 (0.44) NR4A1MRGPRX4SLC16A3MAPT
SCHEMBL11230471 0.90 NR4A1 (0.44) NR4A1MRGPRX4SLC16A3MAPT
SCHEMBL11853625 0.90 NR4A1 (0.45) NR4A1ALDH1A1HTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11544689 0.89 NR4A1 (0.43) NR4A1MRGPRX4SLC16A3MAPT
SCHEMBL11725252 0.87 BID (0.44) NR4A1ALDH1A1HTTSMN1; SMN2KDM4E

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-4147790-A (4-Phenyl-piperazino alkyl)-3-benzoyl-benzene alkanoates ROUSSEL UCLAF (FR) 1979-04-03 US disclosed