SCHEMBL29945834

SCHEMBL29945834

COc1c(Br)cccc1[C@@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
CTSK P43235 4/20 0.41
CTSS P25774 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
CTSB P07858 1/20 0.37
TSHR P16473 2/20 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
SCHEMBL28880330 1.00 HTT (0.41) HTTCTSKCTSSKMT2AMEN1
SCHEMBL26457642 1.00 HTT (0.41) HTTCTSKCTSSKMT2AMEN1
SCHEMBL25847565 0.86 CTSS (0.40) HTTCTSKCTSSKMT2AMEN1
SCHEMBL17041300 0.85 TSHR (0.43) CTSKKMT2AMEN1MAPTATM
SCHEMBL25472039 0.85 HTT (0.56) HTTCTSKCTSSKMT2AMEN1
SCHEMBL1343848 0.85 HTT (0.56) HTTCTSKCTSSKMT2AMEN1
SCHEMBL31048703 0.85 HTT (0.56) HTTCTSKCTSSKMT2AMEN1
SCHEMBL31733639 0.85 HTT (0.56) HTTCTSKCTSSKMT2AMEN1
SCHEMBL17041345 0.84 PPARG (0.41) HTTCTSKCTSSKMT2AMEN1
SCHEMBL15336461 0.84 HTT (0.43) HTTCTSKCTSSKMT2AMEN1

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-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed