SCHEMBL9808092

SCHEMBL9808092

Cc1cc(SCCNC(=O)C(=O)NCCSc2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TEAD1 P28347 1/20 0.42
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
LMNA P02545 4/20 0.41

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
SCHEMBL9808172 0.91 TDP1 (0.45) HPGDALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9808060 0.87 ALDH1A1 (0.53) HPGDALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9808064 0.87 HPGD (0.53) HPGDALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL9808250 0.81 HDAC1 (0.54) ALDH1A1SMN1; SMN2CYP2C9CYP2C19NPC1
SCHEMBL9808054 0.79 HTT (0.49) HPGDALDH1A1MAPTKMT2ALMNA
SCHEMBL7846060 0.76 CA2 (0.44) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9750261 0.76 ESR1 (0.44)
SCHEMBL9808094 0.76 TEAD1 (0.53) HPGDALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9808180 0.75 APP (0.42) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL9808059 0.74 GAA (0.40) CYP1A2CYP3A4CYP2C9CYP2C19MAPT

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