SCHEMBL8935371

SCHEMBL8935371

CC(N)(Cc1ccc(OCc2ccco2)cc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ACACB O00763 1/20 0.48
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
BLM P54132 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL27309675 0.80 PARP10 (0.57) GAARAB9ASMN1; SMN2L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL27353104 0.79 PARP10 (0.56) GAARAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL27311683 0.79 PPARG (0.53) ALDH1A1SMN1; SMN2L3MBTL1BLM
SCHEMBL8935261 0.79 POLB (0.47) GAANPC1RAB9AMAPK1HPGD
SCHEMBL8935272 0.79 ACACB (0.47) ACACBNPC1RAB9ABLMSLC1A3
SCHEMBL28904310 0.78 NPC1 (0.56) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL28500733 0.76 MAOB (0.61)
SCHEMBL28510234 0.76 MAOB (0.57) NPC1RAB9ASMN1; SMN2KMT2AHSD17B10
SCHEMBL8935338 0.75 PARP10 (0.48) BLM
SCHEMBL8935443 0.75 MAOB (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed