SCHEMBL9770370

SCHEMBL9770370

O=C(c1ccccc1)c1ccc(OCC(O)CSc2cccc(O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
ABCB1 P08183 10/20 0.51
MAPK1 P28482 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
PPARD Q03181 1/20 0.44

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
SCHEMBL9770448 0.88 BACE1 (0.59) BACE1KMT2ACYP2D6LMNAPPARD
SCHEMBL9770472 0.87 MAPT (0.58) BACE1ABCB1ALDH1A1LMNAPPARD
SCHEMBL9770440 0.87 BACE1 (0.70) BACE1ABCB1MAPK1MEN1KMT2A
SCHEMBL9770535 0.85 BACE1 (0.57) BACE1MAPK1MEN1KMT2AALDH1A1
SCHEMBL9770474 0.85 BACE1 (0.62) BACE1KMT2ASMN1; SMN2PPARD
SCHEMBL9770497 0.82 NPC1 (0.57) BACE1MAPK1MEN1KMT2AALDH1A1
SCHEMBL9770331 0.82 BACE1 (0.52) BACE1MAPK1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9770507 0.82 BACE1 (0.52) BACE1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL9770581 0.79 ALDH1A1 (0.48) BACE1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL18543110 0.78 ABCB1 (0.71) ABCB1MAPK1MEN1KMT2ASMN1; 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-5071822-A Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability KAO CORPORATION (JP) 1991-12-10 US disclosed