SCHEMBL9808089

SCHEMBL9808089

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.53
YAP1 P46937 1/20 0.53
TEAD4 Q15561 1/20 0.53
TEAD2 Q15562 1/20 0.53
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
RAB9A P51151 6/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL9808027 0.89 CNR2 (0.49) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL9808094 0.89 TEAD1 (0.53) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL9808073 0.87 TEAD1 (0.60) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL21963810 0.87 MTNR1A (0.54) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL8388519 0.86 EPHX1 (0.54) MTNR1AMTNR1BALDH1A1HPGDHTT
SCHEMBL8388750 0.86 EPHX1 (0.54) MTNR1AMTNR1BALDH1A1HPGDHTT
SCHEMBL9808086 0.85 TEAD1 (0.58) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL8412413 0.85 MTNR1A (0.72) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL9808122 0.84 HPGD (0.57) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL9808246 0.84 ALDH1A1 (0.66) TEAD1YAP1TEAD4TEAD2MTNR1A

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