SCHEMBL10360799

SCHEMBL10360799

CSc1ccc2c(c1)CC(=O)C(c1ccccc1)O2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MAOB P27338 9/20 0.35
PTGS2 P35354 2/20 0.34
CYP19A1 P11511 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F10 P00742 1/20 0.32
MAOA P21397 1/20 0.32
PSMB5 P28074 1/20 0.32
ADK P55263 1/20 0.32

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
SCHEMBL10534789 0.86 AR (0.35) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL11247779 0.82 MAOB (0.49) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL6700954 0.79 CYP19A1 (0.45) ARMAOBCYP19A1KDM4EADORA3
SCHEMBL10360821 0.79 MAOB (0.49) ARMAOBCYP19A1KDM4EADORA3
SCHEMBL126600 0.79 AR (0.52) ARMAOBCYP19A1KDM4EADORA3
SCHEMBL6711967 0.79 CYP19A1 (0.45) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL126193 0.78 ABCG2 (0.55) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL10537709 0.78
SCHEMBL19746 0.78 CYP19A1 (0.45) ARMAOBCYP19A1KDM4EADORA3
SCHEMBL10360806 0.77 ALDH1A1 (0.51) ARMAOBKDM4EALDH1A1MAOA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0139614-B1 PHARMACEUTICAL PREPARATIONS CONTAINING FLAVANONE OR THIOFLAVANONE DERIVATIVES, THE USE THEREOF, NOVEL FLAVANONES AND THIOFLAVANONES, AND PROCESSES FOR THEIR MANUFACTURE Zyma SA (CH) 1990-08-22 EP disclosed
US-4935441-A Flavene and thioflavene derivates, processes for their manufacture, pharmaceutical preparations that contain such compounds, and the use of the latter ZYMA SA (CH) 1990-06-19 US disclosed
US-4885298-A Pharmaceutical preparations containing flavanone or thioflavanone derivatives the use thereof, novel flavanones and thioflavanones, and processes for their manufacture ZYMA SA (CH) 1989-12-05 US disclosed
EP-0139615-B1 FLAVENE AND THIOFLAVENE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SUCH COMPOUNDS, AND THE USE OF THE LATTER Zyma SA (CH) 1989-04-19 EP disclosed
EP-0139615-A2 Flavene and thioflavene derivatives, processes for their manufacture, pharmaceutical preparations that contain such compounds, and the use of the latter Zyma SA (CH) 1985-05-02 EP disclosed
EP-0139614-A2 Pharmaceutical preparations containing flavanone or thioflavanone derivatives, the use thereof, novel flavanones and thioflavanones, and processes for their manufacture Zyma SA (CH) 1985-05-02 EP disclosed
US-4134813-A THIOCHROMANONES, AMINE BASF AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed