SCHEMBL13827216

SCHEMBL13827216

O[C@H](CCl)COc1ccc(C2(c3ccc(OC[C@H](O)CCl)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ RRM1 P23921 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CA2 P00918 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
SCHEMBL13827214 1.00 AR (0.45) ARSMN1; SMN2MAPTHTTLMNA
SCHEMBL13827280 0.95 AR (0.53) ARSMN1; SMN2MAPTHTTLMNA
SCHEMBL13827215 0.95 AR (0.53) ARSMN1; SMN2MAPTHTTLMNA
SCHEMBL13827570 0.94 AR (0.40) ARSMN1; SMN2MAPTHTTLMNA
SCHEMBL13827150 0.92 AR (0.42) ARSMN1; SMN2MAPTHTTLMNA
SCHEMBL13733373 0.90 AR (0.41) ARSMN1; SMN2MAPTHTTLMNA
SCHEMBL13733377 0.90 AR (0.41) ARSMN1; SMN2MAPTHTTLMNA
SCHEMBL14546243 0.88 MAPT (0.45) SMN1; SMN2MAPTHTTLMNAKMT2A
SCHEMBL13827400 0.87 PLA2G4B (0.40) ARSMN1; SMN2MAPTHTTLMNA
SCHEMBL13827566 0.87 AR (0.39) ARSMN1; SMN2MAPTHTTLMNA

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-2012145330-A1 FLUORENE-9-BISPHENOL COMPOUNDS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-10-26 — — WO disclosed
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