SCHEMBL28154657

SCHEMBL28154657

CCC(=O)c1cc(Br)c(C)c(C)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.42
HSP90AB1 P08238 1/20 0.40
HMGCR P04035 1/20 0.38
KDM4E B2RXH2 1/20 0.36
UBE2N P61088 1/20 0.36

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
SCHEMBL15698069 0.79 HSP90AB1 (0.42) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL20142067 0.77 GAA (0.55) GAAKMT2AMEN1ALDH1A1HPGD
SCHEMBL1020355 0.75 GAA (0.53) GAAKMT2AMEN1ALDH1A1HPGD
SCHEMBL27757665 0.73 HMGCR (0.51) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL28358548 0.72 HSP90AB1 (0.48) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL7193425 0.72 CYP3A4 (0.44) GAAKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL26519532 0.72 TSHR (0.48) GAAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL22055395 0.72 KDM4E (0.42) GAAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL1023702 0.71 HSP90AB1 (0.39) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL22614748 0.71 HSP90AB1 (0.47) GAAKMT2AMEN1ALDH1A1HPGD

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
CN-104254534-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2017-07-14 CN disclosed