SCHEMBL9770575

SCHEMBL9770575

Cc1ccc(OCC(O)CSc2cccc(O)c2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
PPARD Q03181 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
BACE1 P56817 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9770381 0.87 KMT2A (0.50) KMT2AMEN1PPARDMAPTLMNA
SCHEMBL9770525 0.79 KMT2A (0.48) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL9770500 0.79 KMT2A (0.45) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL11121575 0.78 KMT2A (0.61) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL9770474 0.78 BACE1 (0.62) KMT2APPARDSMN1; SMN2NPC1RAB9A
SCHEMBL9770448 0.78 BACE1 (0.59) KMT2APPARDMAPTLMNANPC1
SCHEMBL9770487 0.78 CASR (0.40) KMT2AMEN1MAPTTP53MRGPRX4
SCHEMBL9770331 0.77 BACE1 (0.52) KMT2APPARDSMN1; SMN2NPC1RAB9A
SCHEMBL9770507 0.77 BACE1 (0.52) KMT2AMEN1PPARDLMNASMN1; SMN2
SCHEMBL9770497 0.74 NPC1 (0.57) KMT2AMEN1PPARDMAPTNPC1

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