SCHEMBL11238679

SCHEMBL11238679

Cc1cccc(C(=O)O)c1OC1CCOC1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
CXCR5 P32302 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
MYC P01106 1/20 0.37
NTSR1 P30989 1/20 0.37
ATM Q13315 1/20 0.37
CYP2C9 P11712 1/20 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
SCHEMBL11238401 0.78 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL22789784 0.77 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2662118 0.76 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11383087 0.76 POLB (0.43) KDM4EALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL3306602 0.75 CXCR5 (0.59) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL11272674 0.74 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3465394 0.73 CXCR5 (0.55) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL11250546 0.71 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL305252 0.69 ALDH1A1 (0.70) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL30675634 0.69 ALDH1A1 (0.70) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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-0003084-B1 SPIROBENZOFURANONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICINES Takeda Chemical Industries, Ltd. (JP) 1982-02-24 EP disclosed
US-4284644-A Spirobenzofuranone compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-18 US disclosed