SCHEMBL20076696

SCHEMBL20076696

CC(=O)C1C(c2ccc(Cl)cc2)C1(C)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.42
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
BRD4 O60885 1/20 0.40
SLC9A1 P19634 5/20 0.37
ABCC1 P33527 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.36
ELANE P08246 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 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
SCHEMBL17772002 0.82 SLC9A1 (0.45) GAAKMT2AMAPTMAPK1BRD4
SCHEMBL20076701 0.82 SLC9A1 (0.42) KMT2AMAPTSLC9A1NPC1HTT
SCHEMBL21020569 0.80 GAA (0.34) GAAMAPTCES2CES1SLC9A1
SCHEMBL20076754 0.76 SLC9A1 (0.36) KMT2ASLC9A1HTTMEN1LMNA
SCHEMBL10743245 0.73 SLC9A1 (0.46) GAAKMT2AMAPTMAPK1SLC9A1
SCHEMBL10491406 0.73 SLC9A1 (0.44) GAAKMT2AMAPTMAPK1BRD4
SCHEMBL11395709 0.73 SLC9A1 (0.44) GAAKMT2AMAPTMAPK1BRD4
SCHEMBL10743254 0.73 SLC9A1 (0.46) GAAKMT2AMAPTMAPK1SLC9A1
SCHEMBL10743257 0.73 SLC9A1 (0.46) GAAKMT2AMAPTMAPK1SLC9A1
Hydrochloric Acid SCHEMBL10491421 0.72 SLC9A1 (0.45) GAAKMT2AMAPTMAPK1SLC9A1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed