SCHEMBL4913002

SCHEMBL4913002

COc1ccc(C([O])=O)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PDE4D Q08499 2/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TUBB1 Q9H4B7 3/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
PKM P14618 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
MCL1 Q07820 2/20 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
SCHEMBL9726919 0.85 MAPT (0.58) MAPTTDP1PDE4DALDH1A1MEN1
SCHEMBL102827 0.83 MAPT (0.72) MAPTTDP1PDE4DALDH1A1MEN1
SCHEMBL1421887 0.83 ALDH1A1 (0.59) MAPTTDP1PDE4DALDH1A1MEN1
SCHEMBL30069060 0.83 ALDH1A1 (0.59) MAPTTDP1PDE4DALDH1A1MEN1
SCHEMBL660605 0.82 MAPT (0.55) MAPTTDP1PDE4DALDH1A1MEN1
Water SCHEMBL9749470 0.82 MAPT (0.70) MAPTTDP1PDE4DALDH1A1MEN1
Hydrochloric Acid SCHEMBL5061862 0.82 MAPT (0.70) MAPTTDP1PDE4DALDH1A1MEN1
Methyl 2,3,4-Trimethoxybenzoate SCHEMBL1434191 0.82 ALDH1A1 (0.57) MAPTTDP1PDE4DALDH1A1MEN1
SCHEMBL3514520 0.82 MAPT (0.55) MAPTTDP1PDE4DALDH1A1MEN1
SCHEMBL222062 0.82 MAPT (0.55) MAPTTDP1PDE4DALDH1A1MEN1

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-4450109-A VASODILATION; CARDIOTONIC AGENTS; HYPOTENSIVE AGENTS SS PHARMACEUTICAL CO., LTD. (JP) 1984-05-22 US claimed
US-20080107829-A1 Cellulose compound, cellulose film, optical compensation sheet, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed