SCHEMBL9808086

SCHEMBL9808086

O=C(CCC(=O)NCCSc1ccc(O)cc1)NCCSc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.58
YAP1 P46937 1/20 0.58
TEAD4 Q15561 1/20 0.58
TEAD2 Q15562 1/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
HSP90AA1 P07900 1/20 0.47
KCNH2 Q12809 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9808122 0.95 HPGD (0.57) TEAD1YAP1TEAD4TEAD2RAB9A
SCHEMBL9808073 0.91 TEAD1 (0.60) TEAD1YAP1TEAD4TEAD2RAB9A
SCHEMBL9808042 0.90 HPGD (0.56) TEAD1YAP1TEAD4TEAD2RAB9A
SCHEMBL9808246 0.88 ALDH1A1 (0.66) TEAD1YAP1TEAD4TEAD2RAB9A
SCHEMBL9808089 0.85 TEAD1 (0.53) TEAD1YAP1TEAD4TEAD2RAB9A
SCHEMBL9808094 0.85 TEAD1 (0.53) TEAD1YAP1TEAD4TEAD2RAB9A
SCHEMBL8391748 0.85 HPGD (0.59) TEAD1YAP1TEAD4TEAD2RAB9A
SCHEMBL9808036 0.85 HPGD (0.62) TEAD1YAP1TEAD4TEAD2RAB9A
SCHEMBL21963810 0.84 MTNR1A (0.54) TEAD1YAP1TEAD4TEAD2RAB9A
SCHEMBL8412413 0.82 MTNR1A (0.72) TEAD1YAP1TEAD4TEAD2RAB9A

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