SCHEMBL8940499

SCHEMBL8940499

C=CCOCCOCCOCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.66
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PKM P14618 1/20 0.55
HTT P42858 1/20 0.53
MAPK1 P28482 2/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
PLA2G4B P0C869 2/20 0.46
RARA P10276 1/20 0.45
SRD5A2 P31213 1/20 0.45
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 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
SCHEMBL8940419 1.00 RARB (0.66) RARBALDH1A1L3MBTL1PKMHTT
SCHEMBL8940469 0.99 RARB (0.63) RARBALDH1A1L3MBTL1PKMHTT
SCHEMBL8917659 0.96 ALDH1A1 (0.65) RARBALDH1A1L3MBTL1PKMHTT
SCHEMBL8915809 0.96 ALDH1A1 (0.65) RARBALDH1A1L3MBTL1PKMHTT
SCHEMBL8915810 0.94 ALDH1A1 (0.67) RARBALDH1A1L3MBTL1PKMHTT
Hydrochloric Acid SCHEMBL11131192 0.93 ALDH1A1 (0.65) RARBALDH1A1L3MBTL1PKMHTT
SCHEMBL10448325 0.90 RARB (0.63) RARBALDH1A1L3MBTL1PKMHTT
SCHEMBL9448789 0.90 RARB (0.63) RARBALDH1A1L3MBTL1PKMHTT
SCHEMBL9448769 0.90 RARB (0.63) RARBALDH1A1L3MBTL1PKMHTT
SCHEMBL4319931 0.87 ALDH1A1 (0.69) RARBALDH1A1L3MBTL1PKMHTT

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
US-5563230-A POLYETHERSILOXANES NATIONAL SCIENCE COUNCIL (TW) 1996-10-08 US disclosed