SCHEMBL11047144

SCHEMBL11047144

O=C(O)CC(Cl)c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
CTSA P10619 12/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACP3 P15309 1/20 0.43
CASP1 P29466 1/20 0.43
CACNA1G O43497 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41

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
SCHEMBL5152957 0.85 KMT2A (0.53) AKR1B1CTSAMEN1KMT2ACACNA1G
SCHEMBL7834130 0.83 DCAF1 (0.42) MEN1KMT2AACP3CASP1CACNA1G
SCHEMBL29077388 0.81 CASP1 (0.40) CTSAMEN1KMT2AACP3CASP1
SCHEMBL27503090 0.81 AKR1B1 (0.48) AKR1B1
SCHEMBL8771196 0.81 ADRB2 (0.50) CTSAMEN1KMT2AACP3
SCHEMBL25253132 0.79 CTSA (0.47) CTSAMEN1KMT2AACP3CASP1
SCHEMBL2456546 0.79 MEN1 (0.58) CTSAMEN1KMT2AACP3
SCHEMBL29478365 0.79 CTSA (0.47) CTSAMEN1KMT2AACP3CASP1
SCHEMBL17749160 0.79 FFAR1 (0.47) CTSAMEN1KMT2A
SCHEMBL1309481 0.79 CTSA (0.47) CTSAMEN1KMT2AACP3CASP1

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-4482571-A BENZYLOXY ACIDS UNIVERSITY OF PITTSBURGH (US) 1984-11-13 US disclosed