SCHEMBL10913322

SCHEMBL10913322

CCN(CC)c1cccc(C(=O)OC2CC(C)(C)CC(c3ccccc3Cl)C2=O)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ AVPR2 P30518 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL10737255 0.69 KMT2A (0.36) KMT2AALOX15LMNAMAPTNPSR1
SCHEMBL26340042 0.65 ALDH1A1 (0.42) POLBTSHRALOX15MAPTKDM4E
SCHEMBL11522683 0.65 LOXL2 (0.53) KMT2APOLBTSHRLMNAMAPT
SCHEMBL1574716 0.64 CYP4F2 (0.52) KMT2ATSHRLMNAMAPTNPSR1
SCHEMBL11874771 0.62 ALDH1A1 (0.51) KMT2ATSHRLMNAMAPTNPSR1
SCHEMBL11581341 0.62 ALDH1A1 (0.55) KMT2ATSHRLMNAMAPTNPSR1
SCHEMBL2742811 0.61 ALDH1A1 (0.58) KMT2ATSHRLMNAMAPTMAOB
SCHEMBL26340003 0.61 KDM4E (0.37) KMT2APOLBTSHRALOX15KDM4E
SCHEMBL610585 0.61 L3MBTL1 (0.57) KMT2ALMNAMAPTMAOBKDM4E
SCHEMBL11739758 0.60 MAPT (0.63) KMT2APOLBTSHRLMNAMAPT

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
US-4613617-A Synergistic insecticidal compositions containing dione esters UNION CARBIDE CORPORATION (US) 1986-09-23 — — US disclosed
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