SCHEMBL4433146

SCHEMBL4433146

COC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
TSHR P16473 3/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 4/20 0.43
ATM Q13315 3/20 0.43
HPGD P15428 1/20 0.43
ADRA2A P08913 1/20 0.43
CNR1 P21554 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL18783983 1.00 LMNA (0.47) LMNATSHRKMT2AMEN1HTT
SCHEMBL10938588 1.00 LMNA (0.47) LMNATSHRKMT2AMEN1HTT
SCHEMBL4433144 1.00 LMNA (0.47) LMNATSHRKMT2AMEN1HTT
SCHEMBL293469 1.00 LMNA (0.47) LMNATSHRKMT2AMEN1HTT
SCHEMBL808825 0.89 LMNA (0.49) LMNATSHRKMT2AMEN1HTT
SCHEMBL808824 0.89 LMNA (0.49) LMNATSHRKMT2AMEN1HTT
SCHEMBL808827 0.87 LMNA (0.44) LMNATSHRKMT2AMEN1HTT
SCHEMBL5706690 0.87 LMNA (0.44) LMNATSHRKMT2AMEN1HTT
SCHEMBL3358099 0.87 LMNA (0.44) LMNATSHRKMT2AMEN1HTT
SCHEMBL10995174 0.86 LMNA (0.49) LMNATSHRKMT2AMEN1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11119033-B2 Conformation analysis device, analysis method, conformational notation device and notation method Izumi, Hiroshi (JP) 2021-09-14 US disclosed
US-20090248321-A1 Conformation analysis device, analysis method, conformational notation device and notation method IZUMI, HIROSHI (JP) 2009-10-01 US disclosed
EP-0176594-A1 FLUOROPYRIDINYLMETHYL CYCLOPROPANECARBOXYLATE INSECTICIDES AND INTERMEDIATES FMC Corporation (US) 1986-04-09 EP disclosed
WO-1985004553-A1 FLUOROPYRIDINYLMETHYL CYCLOPROPANECARBOXYLATE INSECTICIDES AND INTERMEDIATES FMC CORPORATION (US) 1985-10-24 WO disclosed