SCHEMBL11739652

SCHEMBL11739652

CC(C)(C)C(O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SRD5A2 P31213 1/20 0.50
ELANE P08246 4/20 0.49
HPGD P15428 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 4/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALPG P10696 1/20 0.45
MAPT P10636 3/20 0.45
PTGS1 P23219 2/20 0.45
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45

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
SCHEMBL11738805 0.84 MAPK1 (0.50) SRD5A2ELANEHPGDRAB9AMEN1
SCHEMBL14770341 0.83 ALDH1A1 (0.54) ALDH1A1SRD5A2ELANEHPGDRAB9A
SCHEMBL9184984 0.82 TSHR (0.50) ALDH1A1SRD5A2HPGDKMT2ASMN1; SMN2
SCHEMBL477440 0.80 AOC3 (0.57) ALDH1A1LMNACES2CES1L3MBTL1
SCHEMBL112589 0.80 AOC3 (0.57) ALDH1A1LMNACES2CES1L3MBTL1
SCHEMBL9334567 0.80 AOC3 (0.57) ALDH1A1LMNACES2CES1L3MBTL1
SCHEMBL11740260 0.79 GABBR2 (0.48) ALDH1A1HPGDRAB9ANPC1KMT2A
SCHEMBL28587552 0.79 ALDH1A1 (0.58) ALDH1A1SRD5A2ELANEHPGDRAB9A
SCHEMBL2859236 0.78 ALDH1A1 (0.64) ALDH1A1SRD5A2ELANEHPGDRAB9A
SCHEMBL22311660 0.77 ACACB (0.45) ALDH1A1SRD5A2ELANEHPGDRAB9A

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-4051261-A HYPOLIPIDEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1977-09-27 US disclosed