SCHEMBL6537313

SCHEMBL6537313

CC(C)(C)c1cc(Br)c2ccccc2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.43
▸ CA1 P00915 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KCNJ11 Q14654 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ HPN P05981 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ LMNA P02545 1/20 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
SCHEMBL887675 0.82 CA2 (0.48) CA2CA1ALDH1A1TSHRPOLB
SCHEMBL7520146 0.80 LMNA (0.55) CA2CA1ALDH1A1TSHRPOLB
SCHEMBL8763467 0.78 CYP1A2 (0.48) CA2CA1ALDH1A1TSHRPOLB
SCHEMBL11364196 0.77 KCNJ11 (0.57) ALDH1A1POLBSMN1; SMN2TDP1KCNJ11
SCHEMBL16207643 0.76 KDM4E (0.66) ALDH1A1SMN1; SMN2TDP1CYP1A2CYP2C19
SCHEMBL11317791 0.76 CYP2C19 (0.37) ALDH1A1TSHRSMN1; SMN2TDP1KCNJ11
SCHEMBL9128005 0.76 CA2 (0.42) CA2CA1ALDH1A1TSHRPOLB
SCHEMBL8772295 0.76 HSPA5 (0.50) CA2CA1ALDH1A1TSHRPOLB
SCHEMBL9861935 0.76 CA2 (0.42) CA2CA1ALDH1A1TSHRPOLB
SCHEMBL585863 0.74 HTT (0.53) CA2CA1ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1745198-A Method of preparing brominated hydroxy aromatic compounds GEN ELECTRIC (US) 2006-03-08 — — CN claimed
US-6827836-B2 With high para selectivity; hydrogen bromide not generated as a by-product; GENERAL ELECTRIC COMPANY 2004-12-07 — — US claimed
WO-2004050954-A1 METHOD OF PREPARING BROMINATED HYDROXY AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2004-06-17 — — WO claimed
US-20040104126-A1 Method of preparing brominated hydroxy aromatic compounds GENERAL ELECTRIC COMPANY 2004-06-03 — — US claimed
CN-1745198-A Method of preparing brominated hydroxy aromatic compounds GEN ELECTRIC (US) 2006-03-08 — — CN disclosed
US-6827836-B2 With high para selectivity; hydrogen bromide not generated as a by-product; GENERAL ELECTRIC COMPANY 2004-12-07 — — US disclosed
WO-2004050954-A1 METHOD OF PREPARING BROMINATED HYDROXY AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2004-06-17 — — WO disclosed
US-20040104126-A1 Method of preparing brominated hydroxy aromatic compounds GENERAL ELECTRIC COMPANY 2004-06-03 — — US disclosed
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