SCHEMBL6945911

SCHEMBL6945911

COC(=O)c1ccc(OC)c(OC)c1OS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
Methyl 2,3,4-Trimethoxybenzoate SCHEMBL1434191 0.85 ALDH1A1 (0.57) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL27512581 0.78 KMT2A (0.50) KDM4EPOLBALDH1A1MAPTHSD17B10
SCHEMBL6852879 0.75 CA1 (0.52) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL29208993 0.75 MAPT (0.47) KDM4EPOLBALDH1A1MAPTHSD17B10
SCHEMBL24136599 0.75 LMNA (0.55) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL16513023 0.75 HTT (0.50) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL1434290 0.75 MAPT (0.71) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL23051546 0.75 MAPT (0.51) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL30466421 0.75 LMNA (0.55) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL8526786 0.74 MAPT (0.55) ALDH1A1MAPTTDP1PKMMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887344-B1 Quinolines and quinazolines useful in therapy PFIZER LTD (GB) 2003-12-03 — — EP disclosed
US-6417194-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-07-09 — — US disclosed
US-6048864-A Quinolines and quinazolines useful in therapy PFIZER INC (US) 2000-04-11 — — US disclosed
EP-0887344-A1 Quinolines and quinazolines useful in therapy Pfizer Limited (GB) 1998-12-30 — — EP disclosed
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