SCHEMBL22041575

SCHEMBL22041575

CN(C)c1ccc(C(=O)OC(=O)c2ccc(N(C)C)cc2)cc1.c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
HPGD P15428 6/20 0.55
MAPT P10636 6/20 0.55
RAB9A P51151 5/20 0.54
NPC1 O15118 5/20 0.54
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CASP3 P42574 1/20 0.45
CYP1B1 Q16678 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
GFER P55789 2/20 0.44
LMNA P02545 1/20 0.43
KCNK3 O14649 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL18209598 0.88 RAB9A (0.69) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL9699014 0.84 ALDH1A1 (0.64) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL19124560 0.82 LMNA (0.54) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL22041562 0.79 CES2 (0.56) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL1646005 0.78 ALDH1A1 (0.52) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL4755625 0.78 ALDH1A1 (0.50) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL23902975 0.77 PLK1 (0.42) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL21359733 0.77 CYP2C9 (0.44) ALDH1A1HPGDRAB9ANPC1KMT2A
SCHEMBL10582312 0.75 ALDH1A1 (0.57) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL8647089 0.75 MAPT (0.62) ALDH1A1HPGDMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113454095-B Acylphosphino-oxygen compound and preparation method thereof 安庆莱霆光电科技有限公司 2023-08-22 CN disclosed
CN-113454095-A Acylphosphinoxide compound and preparation method thereof 安庆莱霆光电科技有限公司 2021-09-28 CN disclosed
WO-2020113585-A1 ACYLPHOSPHINE OXIDE COMPOUND AND PREPARATION METHOD THEREFOR 安庆莱霆光电科技有限公司 2020-06-11 WO disclosed