SCHEMBL9544583

SCHEMBL9544583

C=Cc1ccccc1CCc1ccccc1C=C.C=Cc1ccccc1COCCCCCCCCCCCCOCc1ccccc1C=C.C=Cc1ccccc1COCCCCCCOCc1ccccc1C=C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
GBA1 P04062 2/20 0.31
LCT P09848 2/20 0.31
SI P14410 2/20 0.31
UGCG Q16739 2/20 0.31
GBA2 Q9HCG7 2/20 0.31
MGAM O43451 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TEAD3 Q99594 1/20 0.30
ADRB2 P07550 2/20 0.30
ADRB1 P08588 2/20 0.30
ADRB3 P13945 2/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL9193908 0.95 ALDH1A1 (0.36) L3MBTL1TDP1ALDH1A1BCHEACHE
SCHEMBL9193381 0.95 ALDH1A1 (0.36) L3MBTL1TDP1ALDH1A1BCHEACHE
SCHEMBL8945476 0.87 THRA (0.40) L3MBTL1TDP1ALDH1A1BCHEACHE
SCHEMBL7061568 0.87 THRA (0.40) L3MBTL1TDP1ALDH1A1BCHEACHE
SCHEMBL6678185 0.87 THRA (0.40) L3MBTL1TDP1ALDH1A1BCHEACHE
SCHEMBL6675423 0.87 THRA (0.40) L3MBTL1TDP1ALDH1A1BCHEACHE
SCHEMBL7763456 0.87 BCHE (0.34) L3MBTL1TDP1ALDH1A1BCHEACHE
SCHEMBL7766585 0.87 BCHE (0.34) L3MBTL1TDP1ALDH1A1BCHEACHE
SCHEMBL3371484 0.85 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3959527 0.85 ALDH1A1 (0.32) ALDH1A1BCHEACHE

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-1993014097-A1 NOVEL BISPHOSPHONIC ACID DERIVATIVES AND THEIR USE NAESMAN JAN ANDERS HARRY (FI) 1993-07-22 WO disclosed