SCHEMBL16976906

SCHEMBL16976906

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/C(=O)CCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GPR52 Q9Y2T5 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ THRB P10828 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ APP P05067 1/20 0.31
▸ TOP2A P11388 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL12076200 0.90 RAB9A (0.37) RAB9AKDM4ENPC1SMN1; SMN2GPR52
SCHEMBL12076196 0.90 RAB9A (0.37) RAB9AKDM4ENPC1SMN1; SMN2GPR52
SCHEMBL13651441 0.88 RAB9A (0.41) RAB9AKDM4ENPC1SMN1; SMN2GPR52
SCHEMBL13651456 0.88 RAB9A (0.41) RAB9AKDM4ENPC1SMN1; SMN2GPR52
SCHEMBL13520528 0.87 RAB9A (0.42) RAB9AKDM4ENPC1SMN1; SMN2GPR52
SCHEMBL13926069 0.86 RAB9A (0.43) RAB9AKDM4ENPC1SMN1; SMN2GPR52
SCHEMBL13614205 0.82 RAB9A (0.54) RAB9AKDM4ENPC1SMN1; SMN2GPR52
SCHEMBL13531618 0.82 RAB9A (0.41) RAB9AKDM4ENPC1SMN1; SMN2GPR52
SCHEMBL4337454 0.82 RAB9A (0.54) RAB9AKDM4ENPC1SMN1; SMN2GPR52
SCHEMBL13914986 0.82 RAB9A (0.41) RAB9AKDM4ENPC1SMN1; SMN2GPR52

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
EP-2495235-B1 Process for the synthesis of prostaglandins and intermediates thereof NEWCHEM S P A (IT) 2015-08-05 — — EP disclosed
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