SCHEMBL7905205

SCHEMBL7905205

Oc1ccccc1-c1ccccc1SCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
BCL2L1 Q07817 1/20 0.44
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
ALOX15 P16050 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
GMNN O75496 1/20 0.39
EGFR P00533 1/20 0.39
CA2 P00918 1/20 0.39
FYN P06241 1/20 0.39
POLB P06746 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
SCHEMBL5842427 0.81 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10BCL2L1MAPK1
SCHEMBL7187789 0.80
SCHEMBL27971884 0.78 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10BCL2L1MAPK1
SCHEMBL28074147 0.78 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10BCL2L1MAPK1
Hydrogen Sulfide SCHEMBL10815992 0.78 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10BCL2L1MAPK1
SCHEMBL8779980 0.77 MAPK1 (0.50) ALDH1A1HPGDHSD17B10BCL2L1MAPK1
SCHEMBL29623192 0.77 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10BCL2L1SMN1; SMN2
SCHEMBL28574 0.77 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10BCL2L1SMN1; SMN2
SCHEMBL30442890 0.77 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10BCL2L1SMN1; SMN2
SCHEMBL27659427 0.77 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10BCL2L1SMN1; SMN2

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-6204005-B1 ACCURATE AND SENSITIVE QUALITATIVE OR QUANTITATIVE ANALYSIS BY INCUBATING ANTIBODIES AND COMPETITOR OF DEFINED STRUCTURE IN PRESENCE OF TEST SAMPLE, THEN DETECTING CONGENER ECOCHEM RESEARCH, INC. 2001-03-20 US disclosed