SCHEMBL9770381

SCHEMBL9770381

Cc1ccc(OCC(O)CSc2ccc(O)cc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
BACE1 P56817 1/20 0.49
PPARD Q03181 1/20 0.47
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL9770575 0.87 KMT2A (0.48) KMT2AMEN1BACE1PPARDMAPT
SCHEMBL9770237 0.84 KDM4E (0.57) KMT2AMEN1BACE1MAPTSMN1; SMN2
SCHEMBL9770562 0.81 BACE1 (0.67) KMT2AMEN1BACE1PPARDMAPT
SCHEMBL9770511 0.81 BACE1 (0.53) KMT2ABACE1PPARDNPC1RAB9A
SCHEMBL11121575 0.80 KMT2A (0.61) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL5824925 0.79 L3MBTL1 (0.61) KMT2AMAPTSMN1; SMN2NPSR1NPC1
SCHEMBL9770402 0.79 BACE1 (0.58) KMT2AMEN1BACE1MAPTSMN1; SMN2
SCHEMBL9770406 0.77 BACE1 (0.60) KMT2AMEN1BACE1PPARDMAPT
SCHEMBL12087356 0.77 PPARD (0.59) BACE1PPARD
SCHEMBL9770410 0.76 BACE1 (0.49) KMT2AMEN1BACE1PPARDMAPT

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 4 patents. 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 claimed
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP claimed
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
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP disclosed