SCHEMBL28596607

SCHEMBL28596607

CC(C)c1coc2c(Br)cccc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ CYP19A1 P11511 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ PTPN1 P18031 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL11974293 0.76 MAOB (0.51) CYP19A1MAOBPTPN1ALDH1A1KDM4E
SCHEMBL28990300 0.75 LOXL2 (0.36) LOXL2MAOBPTPN1MEN1POLB
SCHEMBL30307600 0.72 PTPN1 (0.62) MAOBPTPN1MEN1POLBKMT2A
SCHEMBL18878405 0.71 PTPN1 (0.56) CYP19A1MAOBPTPN1MEN1POLB
SCHEMBL28600768 0.71 MAPT (0.44) CYP19A1MAOBPTPN1MEN1POLB
SCHEMBL27924239 0.71 ALOX15 (0.57) MEN1POLBKMT2AALDH1A1KDM4E
SCHEMBL25824617 0.70 LOXL2 (0.36) LOXL2MAOBPTPN1PARP1
SCHEMBL14265470 0.70 CYP1A2 (0.39) MAOBALDH1A1CES1GPR55LMNA
SCHEMBL29208129 0.70 — —
SCHEMBL2094794 0.70 ALDH1A1 (0.39) LOXL2MAOBPOLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898259-B Method for preparing 3-substituted chromanone through nonmetal catalytic hydrogenation 中国科学院化学研究所 2022-05-17 — — CN disclosed
CN-112898259-A Method for preparing 3-substituted chromanone through nonmetal catalytic hydrogenation 中国科学院化学研究所 2021-06-04 — — CN disclosed
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