SCHEMBL9737241

SCHEMBL9737241

COCC1(C)Oc2ccc(C(=O)OC)cc2C(OC2=CC(=O)CC2)C1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX5 P09917 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
XDH P47989 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RORC P51449 1/20 0.33
MAPT P10636 2/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
ABCC9 O60706 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
SCHEMBL9845023 0.91 CA12 (0.34) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL9845019 0.83 CA12 (0.34) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL9735212 0.82 CA12 (0.34) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL9735584 0.80 ALOX5 (0.34) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL22997428 0.79 RAB9A (0.42) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL29653996 0.79 RAB9A (0.42) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL29446214 0.79 RAB9A (0.42) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL29446222 0.79 RAB9A (0.42) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL29446212 0.79 RAB9A (0.42) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL29653912 0.79 RAB9A (0.42) CA12CA9RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed