SCHEMBL9483561

SCHEMBL9483561

CC(C)(C)CC(C)(C)c1cc(C=O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SHBG P04278 1/20 0.40
▸ GABBR2 O75899 1/20 0.38
▸ GABBR1 Q9UBS5 1/20 0.38
▸ ERN1 O75460 3/20 0.38
▸ ALOX5 P09917 4/20 0.38
▸ PTGS2 P35354 4/20 0.38

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
SCHEMBL5674122 0.92 SHBG (0.41) ALDH1A1CYP3A4HIF1AMEN1KMT2A
SCHEMBL9482458 0.86 CYP1A2 (0.41) ALDH1A1CYP3A4HIF1AMEN1KMT2A
SCHEMBL187267 0.83 ALOX5 (0.49) ALDH1A1CYP3A4HIF1AMEN1KMT2A
SCHEMBL29467329 0.83 ALOX5 (0.49) ALDH1A1CYP3A4HIF1AMEN1KMT2A
SCHEMBL29467330 0.83 ALOX5 (0.49) ALDH1A1CYP3A4HIF1AMEN1KMT2A
SCHEMBL3232508 0.83 CA2 (0.52) ALDH1A1CYP3A4HIF1AMEN1KMT2A
SCHEMBL931553 0.82 ERN1 (0.44) ALDH1A1CYP3A4HIF1AMEN1KMT2A
SCHEMBL31532241 0.82 ALOX5 (0.48) ALDH1A1CYP3A4HIF1AMEN1KMT2A
SCHEMBL28867677 0.82 ALOX5 (0.48) ALDH1A1CYP3A4HIF1AMEN1KMT2A
Ammonia Solution, Strong SCHEMBL28559913 0.82 ALOX5 (0.48) ALDH1A1CYP3A4HIF1AMEN1KMT2A

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-5266283-A Oxygen sorption and desorption BEND RESEARCH, INC. (US) 1993-11-30 — — US disclosed
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