SCHEMBL3827791

SCHEMBL3827791

O=C1C[C@@H]2[C@@H](C(O)=CCCCc3ccccc3)[C@H](OC(=O)c3ccccc3)C[C@@H]2O1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ BCHE P06276 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37

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
SCHEMBL5575172 0.94 RAB9A (0.64) RAB9AKDM4ENPC1SMN1; SMN2BCHE
SCHEMBL11215847 0.85 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2CHRNA7
SCHEMBL11215851 0.85 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2CHRNA7
SCHEMBL1364377 0.81 RAB9A (0.38) RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1685304 0.80 RAB9A (0.52) RAB9AKDM4ENPC1SMN1; SMN2CHRNA7
SCHEMBL4533210 0.80 RAB9A (0.55) RAB9AKDM4ENPC1SMN1; SMN2BCHE
SCHEMBL1366222 0.80 RAB9A (0.55) RAB9AKDM4ENPC1SMN1; SMN2BCHE
SCHEMBL18532429 0.77 RAB9A (0.64) RAB9AKDM4ENPC1SMN1; SMN2BCHE
SCHEMBL2973096 0.77 RAB9A (0.87) RAB9AKDM4ENPC1SMN1; SMN2BCHE
SCHEMBL7160184 0.77 RAB9A (0.87) RAB9AKDM4ENPC1SMN1; SMN2BCHE

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-1853719-B1 ENZYMATIC TRANSFORMATION OF A PROSTAGLANDIN (BIMATOPROST) INTERMEDIATE TEVA PHARMA (IL) 2009-09-02 — — EP disclosed
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