SCHEMBL8525336

SCHEMBL8525336

O=C(OCC1CC(O)[C@@H](O)C1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 2/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
PPM1B O75688 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL2022684 1.00 ALDH1A1 (0.51) ALDH1A1TDP1CARM1PRMT6CHRNB2
SCHEMBL2023266 1.00 ALDH1A1 (0.51) ALDH1A1TDP1CARM1PRMT6CHRNB2
SCHEMBL9118362 1.00 ALDH1A1 (0.51) ALDH1A1TDP1CARM1PRMT6CHRNB2
SCHEMBL3731771 0.90 TDP1 (0.50) ALDH1A1TDP1CARM1PRMT6CHRNB2
SCHEMBL2026124 0.89 CARM1 (0.45) ALDH1A1TDP1CARM1PRMT6CHRNB2
SCHEMBL2509615 0.89 CARM1 (0.45) ALDH1A1TDP1CARM1PRMT6CHRNB2
SCHEMBL2021055 0.89 CARM1 (0.45) ALDH1A1TDP1CARM1PRMT6CHRNB2
SCHEMBL2021058 0.89 CARM1 (0.45) ALDH1A1TDP1CARM1PRMT6CHRNB2
SCHEMBL2509616 0.89 CARM1 (0.45) ALDH1A1TDP1CARM1PRMT6CHRNB2
SCHEMBL2515295 0.89 CARM1 (0.45) ALDH1A1TDP1CARM1PRMT6CHRNB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5912356-A HERPES VIRUS GLAXO WELLCOME INC. (US) 1999-06-15 US disclosed
EP-0779885-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES CONTAINING A SUBSTITUTED BENZIMIDAZOLE BASE ATTACHED TO A CARBOCYCLIC RING THE WELLCOME FOUNDATION LIMITED (GB) 1997-06-25 EP disclosed
WO-1996007646-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES CONTAINING A SUBSTITUTED BENZIMIDAZOLE BASE ATTACHED TO A CARBOCYCLIC RING THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-14 WO disclosed