SCHEMBL8795368

SCHEMBL8795368

COc1ccc(C2=CC(C)(C)Oc3ccc(SC(F)(F)F)cc32)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
SLC22A12 Q96S37 1/20 0.33
TDO2 P48775 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CYP2A6 P11509 2/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
PIK3CA P42336 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
FYN P06241 1/20 0.31
SNCA P37840 1/20 0.31
ERN1 O75460 1/20 0.30
KDR P35968 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL8795160 0.81 CYP11B1 (0.37) RARARARBRARGSLC22A12MKNK1
SCHEMBL8794632 0.80 BACE1 (0.35) RARARARBRARGSLC22A12PDE3B
SCHEMBL8794705 0.79 RARA (0.35) RARARARBRARG
SCHEMBL8795130 0.77 ABL1 (0.32) GPBAR1
SCHEMBL8796144 0.77 CYP1A2 (0.34) SLC22A12CYP2A6
SCHEMBL8795691 0.75 SMN1; SMN2 (0.33)
SCHEMBL8795475 0.75 SMN1; SMN2 (0.33)
SCHEMBL8795577 0.74 SMN1; SMN2 (0.33) RARARARBRARG
SCHEMBL8794636 0.74 SMN1; SMN2 (0.34)
SCHEMBL8793777 0.73 SMN1; SMN2 (0.33) RARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP disclosed
EP-0586405-A1 NOVEL 2H-BENZO b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS. BEIERSDORF LILLY GMBH (DE) 1994-03-16 EP disclosed
WO-1992020671-A1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF-LILLY GMBH (DE) 1992-11-26 WO disclosed