SCHEMBL28417393

SCHEMBL28417393

CC1=C(O)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ RNASEH1 O60930 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PNMT P11086 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CASP3 P42574 2/20 0.36
▸ CASP6 P55212 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 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
SCHEMBL29795069 0.76 MAOA (0.46) MAOAALDH1A1HSD11B1BCHECES1
SCHEMBL5027873 0.76 MAOA (0.46) MAOAALDH1A1HSD11B1BCHECES1
SCHEMBL5173906 0.76 MAOA (0.46) MAOAALDH1A1BCHECES1CYP1A2
SCHEMBL31427468 0.74 METAP1 (0.47) MAOAALDH1A1CYP1A2KMT2AKDM4E
SCHEMBL14884278 0.73 MAOA (0.43) MAOAALDH1A1BCHECES1CYP1A2
SCHEMBL13050302 0.73 ALDH1A1 (0.45) MAOAALDH1A1BCHECES1CYP1A2
SCHEMBL10773270 0.73 MAOA (0.43) MAOAALDH1A1HSD11B1BCHECES1
SCHEMBL472047 0.73 MAOA (0.43) MAOAALDH1A1HSD11B1BCHECES1
Fluorene SCHEMBL3139239 0.72 MAOA (0.59) MAOAALDH1A1BCHECES1CYP1A2
SCHEMBL6516873 0.71 MAOA (0.41) MAOAHSD11B1BCHECES1CASP3

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-111356368-A Herbicidally active bicyclic benzamides 拜耳公司 2020-06-30 — — CN disclosed
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