SCHEMBL28632244

SCHEMBL28632244

COc1cc(Cl)ccc1C(=O)CC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.68
KMT2A Q03164 9/20 0.61
MEN1 O00255 8/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
MAPT P10636 7/20 0.61
HPGD P15428 5/20 0.61
LMNA P02545 5/20 0.61
RAB9A P51151 3/20 0.61
HTT P42858 3/20 0.61
TP53 P04637 2/20 0.61
HSD17B10 Q99714 2/20 0.61
ALOX15 P16050 2/20 0.61
MAPK1 P28482 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
USP2 O75604 1/20 0.61
POLB P06746 1/20 0.55
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX12 P18054 2/20 0.53
IDO1 P14902 1/20 0.50

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
SCHEMBL28636758 0.87 MAPT (0.56) NPC1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL28922645 0.86 KMT2A (0.58) NPC1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL14953099 0.82 ERCC5 (0.65) NPC1KMT2AMEN1LMNAALDH1A1
SCHEMBL1128828 0.82 MAPT (0.62) NPC1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL13516377 0.82 FLT1 (0.52) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL1898771 0.82 NPC1 (1.00) NPC1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL29356203 0.82 NPC1 (1.00) NPC1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3435097 0.79 FLT1 (0.53) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL5623052 0.79 FLT1 (0.51) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL4854078 0.79 HMGCR (0.53) KMT2AMEN1SMN1; SMN2MAPTLMNA

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