SCHEMBL9525543

SCHEMBL9525543

COC(=O)c1ccc2c(c1)C(c1ccccn1)=CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
GABRA5 P31644 1/20 0.40
GRM5 P41594 1/20 0.40
KDM4E B2RXH2 4/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL9525024 0.87 RARA (0.41) RARARARBRARGKDM4EKDM6B
SCHEMBL9524854 0.87 RARA (0.48) TGFBR1RARARARBRARGALOX5
SCHEMBL12365140 0.82 RARA (0.55) RARARARBRARGALOX5GABRA5
SCHEMBL12365911 0.81 RARA (0.43) RARARARBRARGALOX5ALOX15
SCHEMBL9475576 0.80 GRM5 (0.42) TGFBR1ALOX5ALOX15HTTGABRA5
SCHEMBL9524858 0.80 MAPT (0.37) RARARARBRARGHTTKDM4E
SCHEMBL2263334 0.80 RARA (0.43) RARARARBRARGALOX5HTT
SCHEMBL12365916 0.80 NPC1 (0.44) RARARARBRARGALOX5HTT
SCHEMBL9527612 0.78 NPC1 (0.44) TGFBR1RARARARBRARGHTT
SCHEMBL9524965 0.77 ADRA1A (0.39) RARARARBRARGHTTGABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298452-B1 2H-1-BENZOPYRANE DERIVATIVES SUBSTITUTED IN POSITION 4 BY ARYL OR N-HETEROARYL F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP disclosed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 US disclosed
CN-1030582-A 1-benzopyran derivatives HOFFMANN LA ROCHE (CH) 1989-01-25 CN disclosed
EP-0298452-A2 2H-1-benzopyrane derivatives substituted in position 4 by aryl or N-heteroaryl F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed