SCHEMBL7604112

SCHEMBL7604112

O=C(Oc1ccc2c(c1)OC(c1ccccc1)C(=O)C2)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MAPT P10636 6/20 0.53
MEN1 O00255 4/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
HSD17B10 Q99714 1/20 0.53
GRM5 P41594 1/20 0.51
HIF1A Q16665 7/20 0.46
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
NPBWR1 P48145 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL11636347 0.87 MAPT (0.45) KMT2AMAPTMEN1MAOAMAOB
SCHEMBL131516 0.81 CYP19A1 (0.52) MAPTMAOBHSD17B10CYP3A4ALDH1A1
SCHEMBL28691171 0.81 HTR6 (0.39) MAOAMAOBGRM5HIF1AALDH1A1
SCHEMBL2399209 0.79 CA2 (0.45) KMT2AMAPTMEN1TDP1CA12
SCHEMBL13730471 0.77 CYP19A1 (0.49) KMT2AMAPTMEN1MAOAMAOB
SCHEMBL130268 0.77 CYP19A1 (0.49) KMT2AMAPTMEN1MAOAMAOB
SCHEMBL28912178 0.76 CA2 (0.43) KMT2AMAPTMEN1TDP1CA12
SCHEMBL6703209 0.74 CYP19A1 (0.42) KMT2ATDP1ALDH1A1
SCHEMBL10360964 0.74 MAOB (0.49) MAOBALDH1A1
SCHEMBL19746 0.73 CYP19A1 (0.45) KMT2AMAPTMAOAMAOBHSD17B10

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