SCHEMBL9808178

SCHEMBL9808178

O=C(NCCCSc1ccc(O)cc1)C(=O)NCCCSc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 2/20 0.43
TEAD1 P28347 1/20 0.42
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8389466 0.89 HPGD (0.50) HPGDSMN1; SMN2
SCHEMBL9808027 0.89 CNR2 (0.49) HSP90AA1TDP1RXFP1HPGDKCNH2
SCHEMBL9808094 0.89 TEAD1 (0.53) HSP90AA1HPGDKCNH2KMT2ATEAD1
SCHEMBL9808287 0.88 HPGD (0.50) HSP90AA1TDP1RXFP1HPGDKCNH2
SCHEMBL9808042 0.86 HPGD (0.56) HSP90AA1TDP1RXFP1HPGDKCNH2
SCHEMBL8389664 0.86 HPGD (0.50) HPGDSMN1; SMN2
SCHEMBL9808050 0.85 HTT (0.56) HSP90AA1TDP1RXFP1HPGDKMT2A
SCHEMBL9808036 0.85 HPGD (0.62) HSP90AA1HPGDKCNH2KMT2ATEAD1
SCHEMBL13751711 0.83 CNR2 (0.45) HSP90AA1TDP1RXFP1HPGDKCNH2
SCHEMBL8624633 0.83 HPGD (0.50) HPGDTEAD1YAP1TEAD4TEAD2

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