SCHEMBL7650593

SCHEMBL7650593

O=C(O)c1cc(-c2ccc3c(c2)OCO3)c2cc3c(cc2c1)OCO3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
ALOX5 P09917 7/20 0.50
SRD5A2 P31213 1/20 0.49
TP53 P04637 1/20 0.47
DHODH Q02127 1/20 0.47
KDM4E B2RXH2 2/20 0.45
CTNNB1 P35222 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.44
EDNRB P24530 2/20 0.44
EDNRA P25101 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MC4R P32245 1/20 0.44
PPARG P37231 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL7663095 0.88 CHEK2 (0.53) ALDH1A1MAPK1ALOX5KDM4EHPGD
SCHEMBL7652598 0.84 UCHL1 (0.48) MAPK1ALOX5KMT2AMEN1GAA
SCHEMBL7652092 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1SRD5A2TP53DHODH
SCHEMBL27660779 0.77 ALDH1A1 (0.53) ALDH1A1MAPK1SRD5A2TP53DHODH
SCHEMBL6535581 0.77 ALDH1A1 (0.70) ALDH1A1MAPK1SRD5A2TP53DHODH
SCHEMBL12209749 0.76 ALDH1A1 (0.50) ALDH1A1MAPK1ALOX5SRD5A2TP53
SCHEMBL2945422 0.76 ALDH1A1 (0.73) ALDH1A1MAPK1ALOX5SRD5A2CTNNB1
SCHEMBL2957088 0.75 P2RY14 (0.53) ALDH1A1ALOX5PKMKMT2AEDNRB
SCHEMBL5989554 0.73 ALDH1A1 (0.48) ALDH1A1MAPK1SRD5A2TP53KDM4E
SCHEMBL2496476 0.71 ALDH1A1 (0.57) ALDH1A1MAPK1SRD5A2TP53DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed