SCHEMBL8315322

SCHEMBL8315322

Cc1cc(C)c(CC(=O)OC2CCC(OC(C)(C)C)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.41
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PTGS2 P35354 1/20 0.32
NLRP3 Q96P20 1/20 0.31
POLB P06746 1/20 0.31
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL8315306 0.84 CYP19A1 (0.42) CYP19A1KDM4EHTTSMN1; SMN2MAPT
SCHEMBL8311219 0.84 CYP19A1 (0.40) CYP19A1KDM4EMAPTALDH1A1HPGD
SCHEMBL8578647 0.79 MEN1 (0.31) GAAALDH1A1L3MBTL1NLRP3POLB
SCHEMBL8314893 0.74 SERPINE1 (0.38) CYP19A1KDM4EHTTSMN1; SMN2MAPT
SCHEMBL8312811 0.70 CYP19A1 (0.40) CYP19A1APOBEC3AAPOBEC3GKDM4EHTT
SCHEMBL2167246 0.70 NLRP3 (0.51) KDM4EHTTSMN1; SMN2GAAALDH1A1
SCHEMBL769278 0.68 GAA (0.48) KDM4ESMN1; SMN2MAPTGAAALDH1A1
SCHEMBL11471989 0.68 KDM4E (0.44) CYP19A1KDM4EHTTSMN1; SMN2MAPT
SCHEMBL22372971 0.68 MEN1 (0.35) KDM4EMAPTGAAALDH1A1HSD17B10
SCHEMBL13168053 0.65 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDHSD17B10

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-0647637-B1 3-Aryl-4-hydroxy-3-dihydrofuranone derivatives BAYER AG (DE) 1999-01-27 EP disclosed
EP-0647637-A1 3-Aryl-4-hydroxy-3-dihydrofuranone derivatives BAYER AG (DE) 1995-04-12 EP disclosed