SCHEMBL7604102

SCHEMBL7604102

O=C(Oc1ccc2c(c1)OC(c1ccccc1)CC2=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.67
CYP19A1 P11511 6/20 0.67
HSD17B10 Q99714 2/20 0.67
MEN1 O00255 1/20 0.67
MAPT P10636 1/20 0.67
KMT2A Q03164 1/20 0.67
GRM5 P41594 1/20 0.65
MAOA P21397 1/20 0.61
PSMB5 P28074 1/20 0.61
CYP3A4 P08684 1/20 0.58
AR P10275 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ABCB1 P08183 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54

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
SCHEMBL4159662 0.86 MAOB (0.73) MAOBCYP19A1MAPTMAOAPSMB5
SCHEMBL1895399 0.81 MAOB (1.00) MAOBCYP19A1MAPTCYP3A4AR
SCHEMBL131515 0.81 MAOB (1.00) MAOBCYP19A1MAPTCYP3A4AR
SCHEMBL27474119 0.81 KMT2A (1.00) MAOBHSD17B10MEN1MAPTKMT2A
SCHEMBL20412502 0.81 AR (0.61) MAOBCYP19A1HSD17B10MAPTMAOA
SCHEMBL27718675 0.80 MAOB (0.70) MAOBCYP19A1HSD17B10MAOAPSMB5
SCHEMBL2399200 0.80 MAOB (0.68) MAOBCYP19A1CYP3A4
SCHEMBL10360803 0.79 MAOB (0.70) MAOBCYP19A1HSD17B10MAPTMAOA
SCHEMBL17708746 0.79 CYP19A1 (0.77) MAOBCYP19A1MAPTCYP3A4AR
SCHEMBL17708749 0.79 CYP19A1 (0.77) MAOBCYP19A1MAPTCYP3A4AR

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