SCHEMBL8201762

SCHEMBL8201762

CC(C)C(C)(C)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SYK P43405 1/20 0.46
SLC15A1 P46059 1/20 0.46
LMNA P02545 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44
CTSS P25774 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL15114666 0.88 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL5405061 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL4896468 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL5405068 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL4896464 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL20564964 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL20111501 0.86 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL15105964 0.85 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL23219895 0.83 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL5321850 0.83 HCAR2 (0.47) ALDH1A1TDP1MAPK1L3MBTL1LMNA

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
EP-1028697-A2 HAIR CARE COMPOSITIONS COMPRISING OPTICAL BRIGHTENERS AND HAIR CONDITIONING AGENTS THE PROCTER & GAMBLE COMPANY (US) 2000-08-23 EP disclosed
WO-1999013834-A1 HAIR CARE COMPOSITIONS COMPRISING OPTICAL BRIGHTENERS AND PERFUME COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO disclosed
WO-1999013823-A2 HAIR CARE COMPOSITIONS COMPRISING OPTICAL BRIGHTENERS AND HAIR CONDITIONING AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO disclosed