SCHEMBL8991731

SCHEMBL8991731

COc1ccc(OC(=O)O)cc1.COc1ccc(OC(=O)O)cc1.C[Al]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA4 P22748 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PTGS2 P35354 1/20 0.49
LMNA P02545 2/20 0.48
CYP1A2 P05177 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
SCHEMBL56203 0.95 CA1 (0.60) GAASMN1; SMN2ALDH1A1HTTCA1
Hydrochloric Acid SCHEMBL11840046 0.93 CA1 (0.58) GAASMN1; SMN2ALDH1A1HTTCA1
SCHEMBL6223461 0.89 ESR2 (0.56) GAASMN1; SMN2ALDH1A1HTTCA1
Guanidine SCHEMBL7470320 0.85 CA1 (0.53) GAASMN1; SMN2ALDH1A1HTTCA1
SCHEMBL1690741 0.84 LMNA (0.66) SMN1; SMN2ALDH1A1CA1CA2CES2
SCHEMBL18363037 0.84 LMNA (0.66) SMN1; SMN2ALDH1A1CA1CA2CES2
SCHEMBL8986472 0.83 ELANE (0.54) GAAALDH1A1KDM4ELMNAELANE
Anisole SCHEMBL5689479 0.83 ELANE (0.66) GAASMN1; SMN2ALDH1A1HTTCA1
SCHEMBL465132 0.83 LMNA (0.52) GAASMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL17248001 0.82 MAPT (0.49) GAASMN1; SMN2ALDH1A1HTTCA1

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
EP-0510602-B1 Living polymerization method KANSAI PAINT CO LTD (JP) 1996-06-26 EP claimed