SCHEMBL9808151

SCHEMBL9808151

O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 4/20 0.54
HTT P42858 1/20 0.52
KMT2A Q03164 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CNR1 P21554 1/20 0.48

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
SCHEMBL9169708 0.89 L3MBTL1 (0.50) ALDH1A1TDP1HTTL3MBTL1POLB
SCHEMBL6665902 0.89 ALDH1A1 (0.68) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL27823508 0.86 FOLH1 (0.57) ALDH1A1TDP1L3MBTL1POLBSMN1; SMN2
SCHEMBL1681699 0.85 HTT (0.50) ALDH1A1TDP1HTTKMT2ASLC6A2
SCHEMBL18428699 0.83 MAPT (0.65) ALDH1A1TDP1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL4030058 0.83 L3MBTL1 (0.50) ALDH1A1TDP1L3MBTL1POLBRAB9A
SCHEMBL30147524 0.83 MAPT (0.65) ALDH1A1TDP1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL18499402 0.82 ALDH1A1 (0.55) ALDH1A1TDP1HTTKMT2ASLC6A2
SCHEMBL27863986 0.81 MRGPRX4 (0.46) ALDH1A1TDP1HTTL3MBTL1POLB
SCHEMBL23809724 0.81 ALDH1A1 (0.62) ALDH1A1TDP1HTTKMT2ASLC6A2

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