SCHEMBL2845992

SCHEMBL2845992

COC(=O)Cc1ccc(C(=O)CCC(C)C)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
GFER P55789 1/20 0.54
LMNA P02545 2/20 0.44
HPGD P15428 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 2/20 0.43
HSP90AB1 P08238 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ESR1 P03372 1/20 0.40
SHBG P04278 1/20 0.40

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
SCHEMBL2878156 0.78 ALDH1A1 (0.59) ALDH1A1GAAGFERHPGDMEN1
SCHEMBL2844178 0.77 ALDH1A1 (0.38) ALDH1A1GAAGFERLMNAHPGD
SCHEMBL2848196 0.77 PSEN1 (0.46) ALDH1A1GAAGFERLMNACYP4F2
SCHEMBL31511904 0.76 HTT (0.61) ALDH1A1GAAGFERLMNAHPGD
SCHEMBL10876611 0.76 HTT (0.61) ALDH1A1GAAGFERLMNAHPGD
SCHEMBL3668882 0.74 GAA (0.72) ALDH1A1GAAGFERLMNAHPGD
SCHEMBL29446278 0.74 GAA (0.72) ALDH1A1GAAGFERLMNAHPGD
SCHEMBL2436585 0.73 GAA (0.76) ALDH1A1GAAGFERLMNAHPGD
Methyl Alcohol SCHEMBL27946196 0.73 GAA (0.70) ALDH1A1GAAGFERLMNAHPGD
SCHEMBL7042014 0.71 GABRA1 (0.63) ALDH1A1GAAGFERLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed