SCHEMBL11490486

SCHEMBL11490486

O=C(O)Cc1ccc(OC(Br)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.50
AKR1B1 P15121 1/20 0.50
FFAR1 O14842 2/20 0.49
ABCC4 O15439 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
PTGS1 P23219 1/20 0.49
HTT P42858 1/20 0.49
ALOX15 P16050 1/20 0.48
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
NR3C1 P04150 1/20 0.44
CNR2 P34972 2/20 0.43
CA2 P00918 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
POLB P06746 1/20 0.42
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42

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
SCHEMBL28357093 0.88 POLB (0.59) FFAR1CES2CES1CNR2POLB
SCHEMBL25033296 0.83 SRD5A2 (0.57) SRD5A2AKR1B1FFAR1ABCC4LMNA
SCHEMBL27662594 0.81 FFAR1 (0.73) SRD5A2AKR1B1FFAR1CNR2POLB
SCHEMBL27662443 0.81 FFAR1 (0.73) SRD5A2AKR1B1FFAR1CNR2POLB
SCHEMBL4565148 0.81 FFAR1 (0.73) SRD5A2AKR1B1FFAR1CNR2POLB
SCHEMBL8332028 0.78 AKR1B1 (0.52) SRD5A2AKR1B1FFAR1PPARGPPARA
SCHEMBL11300169 0.78 POLB (0.54) SRD5A2AKR1B1FFAR1ABCC4LMNA
SCHEMBL3485914 0.76 SLC6A4 (0.41) SRD5A2TSHRCES2CES1
SCHEMBL32660768 0.76 SLC6A2 (0.58) SRD5A2AKR1B1FFAR1ALOX15
SCHEMBL586226 0.75 SMN1; SMN2 (0.51) SRD5A2LMNAGAAHTTPPARG

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-4190579-A Synthesis of beta-lactams from azetidine carboxylic acid esters RESEARCH CORPORATION (US) 1980-02-26 US disclosed