SCHEMBL18529332

SCHEMBL18529332

CCCCNC1=CC(O)=CC[CH]1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL23280210 0.63 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL24619980 0.61 KDM4E (0.33) ALDH1A1SMN1; SMN2
SCHEMBL27831386 0.59 — —
SCHEMBL21814427 0.58 ALDH1A1 (0.44) APAF1ALDH1A1SMN1; SMN2
SCHEMBL39272 0.58 ALDH1A1 (0.50) APAF1ALDH1A1
SCHEMBL3370162 0.57 — —
SCHEMBL181559 0.57 MAPT (0.52) ALDH1A1
SCHEMBL7178297 0.57 LMNA (0.31) —
SCHEMBL1161081 0.56 IDO1 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL1485771 0.56 MAPT (0.36) APAF1ALDH1A1SMN1; SMN2

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
WO-2017031276-A1 METHODS OF PROVIDING NEUROPROTECTIVE THERAPY RELATED TO ADMINISTERING AN ESTROGEN RECEPTOR BETA LIGAND THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-23 — — WO disclosed
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