SCHEMBL28623658

SCHEMBL28623658

COc1ccc(C(=O)CC(=O)c2ccc(OC)c(Cl)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
POLB P06746 2/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TAS1R3 Q7RTX0 2/20 0.60
TAS1R1 Q7RTX1 2/20 0.60
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 4/20 0.55
ALOX15 P16050 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 2/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL29822688 1.00 MAPT (0.64) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL29822736 0.88 NPC1 (0.59) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL28616902 0.88 NPC1 (0.59) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL11095128 0.83 ALDH1A1 (0.73) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL153386 0.82 ALDH1A1 (0.76) MAPTKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL29822733 0.81 POLB (0.58) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL28616949 0.81 POLB (0.58) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL6136939 0.81 TAS1R3 (0.53) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL12780432 0.81 MEN1 (0.59) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL6329414 0.81 TAS1R3 (0.53) MAPTPOLBMEN1KMT2AALDH1A1

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