SCHEMBL7604105

SCHEMBL7604105

O=C(Oc1cccc2c1O[C@@H](c1ccccc1)CC2=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.49
MAOB P27338 5/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
AR P10275 2/20 0.49
TOP1 P11387 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SLC22A12 Q96S37 2/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PABPC1 P11940 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
EIF4H Q15056 1/20 0.46

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
SCHEMBL11636342 0.86 CYP19A1 (0.50) CYP19A1MAOBKDM4EHSD17B10ADORA3
SCHEMBL1242979 0.80 KDM4E (0.65) CYP19A1MAOBKDM4EHSD17B10ADORA3
SCHEMBL2399205 0.78 SLC22A12 (0.50) CYP19A1MAOBKDM4EADORA3AR
SCHEMBL130267 0.76 CYP19A1 (0.59) CYP19A1MAOBKDM4EHSD17B10ADORA3
SCHEMBL9205670 0.76 CYP19A1 (0.59) CYP19A1MAOBKDM4EHSD17B10ADORA3
SCHEMBL7604102 0.74 MAOB (0.67) CYP19A1MAOBKDM4EHSD17B10ADORA3
SCHEMBL6703206 0.73 MAOB (0.59) CYP19A1MAOBKDM4EHSD17B10ADORA3
SCHEMBL10360963 0.73 MAOB (0.59) CYP19A1MAOBKDM4EHSD17B10ADORA3
SCHEMBL10361402 0.71 MAOB (0.54) CYP19A1MAOBKDM4EHSD17B10ADORA3
SCHEMBL8677834 0.70 MAOB (0.56) CYP19A1MAOBKDM4EHSD17B10ADORA3

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
US-6413998-B1 BONE REGENERATION OSTEOSCREEN, INC. 2002-07-02 US disclosed
US-6008208-A Compositions and methods for treating bone deficit conditions OSTEOSCREEN, INC. (US) 1999-12-28 US disclosed