SCHEMBL9511225

SCHEMBL9511225

CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)c(O)c(C(C)(C)CC(C)(C)C)c2)cc(C(C)(C)CC(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41
SHBG P04278 2/20 0.41
MAPK1 P28482 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
BLM P54132 2/20 0.40
ATM Q13315 2/20 0.40
HIF1A Q16665 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GMNN O75496 1/20 0.40
GABBR2 O75899 1/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 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
SCHEMBL13899798 0.89 SHBG (0.46) ALDH1A1TSHRGAALMNASHBG
SCHEMBL10904864 0.87 HIF1A (0.37) ALDH1A1TSHRGAALMNASHBG
SCHEMBL28417205 0.86 HSPA5 (0.50) ALDH1A1TSHRGAALMNASHBG
SCHEMBL11025169 0.86 ALDH1A1 (0.43) ALDH1A1TSHRGAALMNASHBG
SCHEMBL5412246 0.84 ALDH1A1 (0.39) ALDH1A1TSHRGAALMNASHBG
SCHEMBL11405009 0.84 ALDH1A1 (0.39) ALDH1A1TSHRGAALMNASHBG
SCHEMBL9063663 0.83 HSPA5 (0.35) ALDH1A1TSHRGAALMNASHBG
SCHEMBL9332354 0.83 SHBG (0.48) ALDH1A1TSHRGAALMNASHBG
SCHEMBL9417016 0.82 ALDH1A1 (0.53) ALDH1A1TSHRGAALMNASHBG
SCHEMBL2338145 0.82 GAA (0.42) ALDH1A1TSHRGAALMNASHBG

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
EP-0456925-B1 Antioxidant compositions ETHYL PETROLEUM ADDITIVES LTD (GB) 1993-10-20 EP disclosed
EP-0456925-A1 Antioxidant compositions ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1991-11-21 EP disclosed