SCHEMBL28636758

SCHEMBL28636758

COc1ccc(C(=O)CC(=O)c2ccc(Cl)cc2OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 6/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
KCNH2 Q12809 2/20 0.53
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ALOX15 P16050 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
APEX1 P27695 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL28616949 0.89 POLB (0.58) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL29822733 0.89 POLB (0.58) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL28632244 0.87 NPC1 (0.68) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL28632241 0.84 THRA (0.55) MEN1KMT2AKDM4ETP53
SCHEMBL28824890 0.83 KCNH2 (0.70) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4771241 0.82 SMN1; SMN2 (0.67) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL13516377 0.81 FLT1 (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2978070 0.80 SMN1; SMN2 (0.65) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4779496 0.79 L3MBTL1 (0.50) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL16116249 0.78 NPC1 (0.55) MAPTRAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387790-B Preparation method of chloroalkoxy-1, 3-diphenyl-beta-diketone 佛山华铕光电材料股份有限公司 2022-08-05 CN claimed
CN-113387790-A Preparation method of chloroalkoxy-1, 3-diphenyl-beta-diketone 佛山华铕光电材料股份有限公司 2021-09-14 CN claimed
CN-113387790-B Preparation method of chloroalkoxy-1, 3-diphenyl-beta-diketone 佛山华铕光电材料股份有限公司 2022-08-05 CN disclosed
CN-113387790-A Preparation method of chloroalkoxy-1, 3-diphenyl-beta-diketone 佛山华铕光电材料股份有限公司 2021-09-14 CN disclosed