SCHEMBL20799563

SCHEMBL20799563

Cc1cc(C(=O)CCO)c(C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
ALPI P09923 1/20 0.37
GAA P10253 1/20 0.37
ALPG P10696 1/20 0.37
APEX1 P27695 1/20 0.37
CASP3 P42574 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
MCL1 Q07820 1/20 0.37
RIN1 Q13671 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 4/20 0.37

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
SCHEMBL26607361 0.84 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDGPR27
SCHEMBL6565291 0.84 KMT2A (0.57) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL28267059 0.78 MEN1 (0.37) MEN1KMT2AHPGDGPR27HTT
SCHEMBL11620648 0.76 MEN1 (0.38) MEN1KMT2AALDH1A1TDP1RECQL
SCHEMBL2796102 0.74 HSD17B10 (0.44) ALDH1A1KDM4EGAAHPGDGPR27
SCHEMBL17244914 0.74 RAB9A (0.46) ALDH1A1KDM4EHPGDGPR27TSHR
SCHEMBL29098260 0.72 NNMT (0.42) TDP1L3MBTL1HPGDGPR27HTT
Hydrochloric Acid SCHEMBL7670687 0.72 HSD17B10 (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7670684 0.72 GPR27 (0.38) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL28268752 0.72 GPR27 (0.33) ALDH1A1POLBHPGDGPR27MAPT

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
WO-2019048561-A1 NEW COMPOUNDS SUITABLE AS CATALYSTS FOR POLYMERIZATION REACTIONS TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2019-03-14 WO disclosed