SCHEMBL7184636

SCHEMBL7184636

COc1cc(C(=O)O)c2c(c1)C(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CDC25B P30305 1/20 0.39
KDM4E B2RXH2 10/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
POLB P06746 5/20 0.39
GAA P10253 3/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 1/20 0.37
ALPL P05186 1/20 0.37
CLK1 P49759 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 2/20 0.37

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
SCHEMBL6881483 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL7042497 0.80 HTT (0.42) MCL1KMT2AL3MBTL1HTT
SCHEMBL4065877 0.79 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1HPGDGAA
SCHEMBL6872167 0.78 PLA2G2A (0.51) MCL1
SCHEMBL1274290 0.77 MEN1 (0.46) SMN1; SMN2CDC25BALDH1A1POLBMEN1
SCHEMBL6873797 0.76 GAA (0.45) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL25196987 0.76 ALDH1A1 (0.41) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL30047417 0.76 ALDH1A1 (0.41) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL4812280 0.74 AKR1C3 (0.45) SMN1; SMN2KDM4EALDH1A1HPGDAKR1C3
SCHEMBL7681591 0.73 CXCR5 (0.48) SMN1; SMN2CDC25BKDM4EALDH1A1HPGD

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
EP-1351922-A2 6-SUBSTITUTED INDANOYL AMINO ACID CONJUGATES AS MIMICS TO THE BIOLOGICAL ACTIVITY OF CORONATINE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-10-15 EP disclosed
WO-2002055480-A2 6-SUBSTITUTED INDANOYL AMINO ACID CONJUGATES AS MIMICS TO THE BIOLOGICAL ACTIVITY OF CORONATINE MAX PLANCK GESELLSCHAFT (DE) 2002-07-18 WO disclosed