SCHEMBL25216697

SCHEMBL25216697

CCCCCCCCCCCCCCCCOc1ccc2c(c1OCCCCCCCCCCCCCCCC)C(=O)c1ccccc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNA3 P22001 1/20 0.51
PTPN1 P18031 2/20 0.47
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
PTPN11 Q06124 2/20 0.44
ELANE P08246 4/20 0.44
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TTR P02766 1/20 0.41

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
SCHEMBL917515 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KCNA3PTPN1
SCHEMBL917941 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KCNA3PTPN1
SCHEMBL31690236 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KCNA3PTPN1
SCHEMBL25213837 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KCNA3PTPN1
SCHEMBL31690241 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KCNA3PTPN1
SCHEMBL25223242 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KCNA3PTPN1
SCHEMBL31690246 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KCNA3PTPN1
SCHEMBL27584332 0.99 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KCNA3PTPN1
SCHEMBL28643230 0.94 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KCNA3PTPN1
SCHEMBL970632 0.90 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KCNA3MEN1

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
US-20240301329-A1 ANTHRACENE-9,10-DIONE DERIVATIVES AS PHOTOACTIVATORS IN DETERGENTS HENKEL AG & CO. KGAA (DE) 2024-09-12 US disclosed
WO-2023099154-A1 ANTHRACENE-9,10-DIONE DERIVATIVES AS PHOTOACTIVATORS IN DETERGENTS HENKEL AG & CO. KGAA (DE) 2023-06-08 WO disclosed