SCHEMBL11482189

SCHEMBL11482189

COc1ccc(C2C(C(=O)O)CCC(=O)N2C)cc1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.42
RXRA P19793 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MDM2 Q00987 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL11488323 0.90 KMT2A (0.69) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL11475018 0.88 KMT2A (0.48) KMT2AALDH1A1MEN1POLBRXRA
SCHEMBL11477376 0.81 KMT2A (0.71) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL11483073 0.80 KMT2A (0.53) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL11484201 0.78 KMT2A (0.56) KMT2AALDH1A1MEN1L3MBTL1TSHR
SCHEMBL7821256 0.77 KMT2A (0.47) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL22831278 0.76 KMT2A (0.67) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL22831282 0.76 KMT2A (0.67) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL22492017 0.76 KMT2A (0.67) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL11475285 0.76 TDP1 (0.61) KMT2AALDH1A1MEN1TDP1POLB

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-4219560-A ANTILIPEMIC AGENTS SANDOZ, INC. (US) 1980-08-26 US disclosed