SCHEMBL9808050

SCHEMBL9808050

O=C(CSc1ccc(O)cc1)NCCCSc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 4/20 0.48
TEAD1 P28347 1/20 0.46
YAP1 P46937 1/20 0.46
TEAD4 Q15561 1/20 0.46
TEAD2 Q15562 1/20 0.46
ACKR3 P25106 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL10441195 0.92 HTT (0.56) HTTHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL9808246 0.90 ALDH1A1 (0.66) HTTHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL9808287 0.90 HPGD (0.50) HTTHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL9808042 0.89 HPGD (0.56) HTTHSD17B10ALDH1A1KMT2AHPGD
SCHEMBL9808088 0.88 ALDH1A1 (0.54) HTTHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL9808036 0.87 HPGD (0.62) HSD17B10ALDH1A1LMNAKMT2AHPGD
SCHEMBL9808027 0.85 CNR2 (0.49) ALDH1A1LMNAKMT2AHPGDTEAD1
SCHEMBL9808178 0.85 HSP90AA1 (0.45) ALDH1A1LMNAKMT2AHPGDTEAD1
SCHEMBL8621310 0.83 HTT (0.52) HTTHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL8389804 0.83 HTT (0.52) HTTHSD17B10ALDH1A1LMNAKMT2A

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