SCHEMBL11820295

SCHEMBL11820295

CCO/N=C(/CC)C1=C(OC(=O)c2ccc(Cl)cc2)CC(C)(C)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ HPGD P15428 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP11B2 P19099 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ WRN Q14191 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL11820301 1.00 MAPT (0.49) MAPTHPGDKMT2ALMNAALDH1A1
SCHEMBL11819106 0.92 MAPT (0.44) MAPTHPGDKMT2ALMNAALDH1A1
SCHEMBL11819111 0.92 MAPT (0.44) MAPTHPGDKMT2ALMNAALDH1A1
SCHEMBL11822466 0.90 ALDH1A1 (0.41) MAPTHPGDKMT2AALDH1A1KDM4E
SCHEMBL11822473 0.90 ALDH1A1 (0.41) MAPTHPGDKMT2AALDH1A1KDM4E
SCHEMBL11822033 0.82 ALDH1A1 (0.42) MAPTKMT2AALDH1A1KDM4ETSHR
SCHEMBL11822027 0.82 ALDH1A1 (0.42) MAPTKMT2AALDH1A1KDM4ETSHR
SCHEMBL11829087 0.81 KMT2A (0.42) MAPTHPGDKMT2ALMNAALDH1A1
SCHEMBL11829077 0.81 KMT2A (0.42) MAPTHPGDKMT2ALMNAALDH1A1
SCHEMBL11818849 0.81 ALDH1A1 (0.38) MAPTHPGDKMT2AALDH1A1KDM4E

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-3989737-A HERBICIDES NIPPON SODA COMPANY LIMITED (JA) 1976-11-02 — — US disclosed
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