SCHEMBL11445019

SCHEMBL11445019

COC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.42
AKR1C3 P42330 1/20 0.41
POLB P06746 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40

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
SCHEMBL2240555 0.87 AKR1C3 (0.42) MAPTKDM4ENPC1ALDH1A1AKR1C3
SCHEMBL11774717 0.86 LMNA (0.42) NR4A1LMNAMAPTKDM4ENPC1
SCHEMBL11725662 0.85 NR4A1 (0.47) NR4A1LMNAMAPTKDM4ENPC1
SCHEMBL11445975 0.85 NR4A1 (0.51) NR4A1LMNAMAPTKDM4ENPC1
Hydrochloric Acid SCHEMBL11725673 0.83 ABCB11 (0.50) NR4A1LMNAMAPTKDM4ENPC1
SCHEMBL11772462 0.83 NR4A1 (0.46) NR4A1LMNAKDM4ENPC1ALDH1A1
SCHEMBL11774200 0.82 POLB (0.41) NR4A1LMNAMAPTKDM4ENPC1
SCHEMBL11772647 0.82 ELANE (0.43) NR4A1LMNAMAPTKDM4ENPC1
SCHEMBL11445302 0.81 NR4A1 (0.37) NR4A1LMNAMAPTKDM4ENPC1
SCHEMBL11725138 0.78 NR4A1 (0.46) NR4A1LMNAMAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4192890-A Novel benzoylphenylacetic acid esters ROUSSEL UCLAF (FR) 1980-03-11 US disclosed
US-4147790-A (4-Phenyl-piperazino alkyl)-3-benzoyl-benzene alkanoates ROUSSEL UCLAF (FR) 1979-04-03 US disclosed