SCHEMBL9808256

SCHEMBL9808256

O=C(CC(=O)OCCSc1ccc(O)cc1)OCCSc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
KCNH2 Q12809 1/20 0.45
CA2 P00918 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
RECQL P46063 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9808140 0.89 HSP90AA1 (0.49) HSP90AA1KCNH2CA2ALDH1A1MAPT
SCHEMBL3759191 0.87 HSP90AA1 (0.44) HSP90AA1KCNH2CA2ALDH1A1MAPT
SCHEMBL9808265 0.87 HTT (0.53) HSP90AA1KCNH2CA2ALDH1A1MAPT
SCHEMBL9808078 0.86 HSP90AA1 (0.46) HSP90AA1KCNH2CA2ALDH1A1MAPT
SCHEMBL9808124 0.85 HSP90AA1 (0.47) HSP90AA1KCNH2CA2ALDH1A1MAPT
SCHEMBL28634217 0.81 CA2 (0.46) HSP90AA1KCNH2CA2ALDH1A1MAPT
SCHEMBL27858437 0.81 HSP90AA1 (0.45) HSP90AA1KCNH2CA2ALDH1A1MAPT
SCHEMBL9808271 0.79 ALDH1A1 (0.43) HSP90AA1KCNH2CA2ALDH1A1KMT2A
SCHEMBL9808205 0.77 HSP90AA1 (0.42) HSP90AA1KCNH2CA2ALDH1A1KMT2A
SCHEMBL9808090 0.77 HTT (0.50) HSP90AA1KCNH2CA2ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed