SCHEMBL9702711

SCHEMBL9702711

O=C(Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O)c1ccccc1O.[Cd]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 4/20 0.49
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALOX15 P16050 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
NR1I2 O75469 1/20 0.49
SLC22A3 O75751 1/20 0.49
EGFR P00533 1/20 0.49
TTR P02766 1/20 0.49
ERBB2 P04626 1/20 0.49
LCK P06239 1/20 0.49

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
SCHEMBL8205941 0.83 HPGD (0.54) ALDH1A1HPGDHSD17B10ESR1ESR2
SCHEMBL9169328 0.73 KMT2A (0.42) ALDH1A1HPGDESR1ESR2MEN1
SCHEMBL8209348 0.71 HPGD (0.58) ALDH1A1HPGDHSD17B10ESR1ESR2
Bithionol SCHEMBL64385 0.70 HSD17B10 (1.00) ALDH1A1HPGDHSD17B10ESR1ESR2
Bithionol SCHEMBL29352300 0.70 HSD17B10 (1.00) ALDH1A1HPGDHSD17B10ESR1ESR2
SCHEMBL28911408 0.70 HPGD (0.66) ALDH1A1HPGDHSD17B10ESR1ESR2
SCHEMBL31006535 0.70 KMT2A (0.69) ALDH1A1HPGDHSD17B10ESR1ESR2
SCHEMBL12919768 0.69 HPGD (0.59) ALDH1A1HPGDHSD17B10ESR1ESR2
SCHEMBL8210159 0.69 ESR1 (0.58) ALDH1A1HPGDHSD17B10ESR1ESR2
Bithionol SCHEMBL23926397 0.68 HSD17B10 (0.95) ALDH1A1HPGDHSD17B10ESR1ESR2

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-5120325-A Color-matched sterile adhesive bandages containing melanin-like pigment composition FLESHTONES PRODUCTS CO., INC. (US) 1992-06-09 US disclosed