SCHEMBL31022882

SCHEMBL31022882

CC(C)c1cc(Br)cc2c(C(=O)O)c[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.38
▸ PRKAB2 O43741 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAG3 Q9UGI9 1/20 0.37
▸ PRKAG2 Q9UGJ0 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ CAMKK2 Q96RR4 2/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ CSNK2A2 P19784 4/20 0.35
▸ CSNK2B P67870 4/20 0.35
▸ CSNK2A1 P68400 4/20 0.35
▸ FABP3 P05413 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35

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
SCHEMBL31023069 0.88 GABRA1 (0.40) GABRA1GABRB1PRKAB2PRKAG1PRKAA2
SCHEMBL30993004 0.85 CREBBP (0.45) GABRA1GABRB1NR4A2
SCHEMBL9288270 0.84 AKR1C3 (0.39) GABRA1GABRB1ACE2PRKAB2PRKAG1
SCHEMBL31023051 0.84 GABRA1 (0.37) GABRA1GABRB1NR4A2ALDH1A1
SCHEMBL19328315 0.83 AKR1C4 (0.38) GABRA1GABRB1ACE2PRKAB2PRKAG1
Lithium SCHEMBL17802201 0.83 AKR1C3 (0.38) GABRA1GABRB1ACE2PRKAB2PRKAG1
SCHEMBL30993042 0.82 NR4A2 (0.39) GABRA1GABRB1NR4A2
SCHEMBL4805445 0.80 GABRA1 (0.41) GABRA1GABRB1CYP1A2
SCHEMBL22462503 0.78 AKR1C4 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30993539 0.75 NR4A2 (0.36) GABRA1GABRB1PRKAB2PRKAG1PRKAA2

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
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 — — WO disclosed
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