SCHEMBL11830155

SCHEMBL11830155

O=C(O)CCC(Cl)c1ccc(-c2ccccc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 2/20 0.44
▸ PRKAA2 P54646 2/20 0.44
▸ PRKAB1 Q9Y478 2/20 0.44
▸ CSNK2A1 P68400 2/20 0.42
▸ SHMT1 P34896 1/20 0.39
▸ SHMT2 P34897 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL11836851 0.87 ALOX5 (0.42) PRKAG1PRKAA2PRKAB1HPGDKDM4E
SCHEMBL11758920 0.86 CSNK2A1 (0.42) PRKAG1PRKAA2PRKAB1CSNK2A1HPGD
SCHEMBL11825726 0.84 ALDH1A1 (0.38) PRKAG1PRKAA2PRKAB1HPGDKDM4E
SCHEMBL11831306 0.84 AKR1C3 (0.56) HPGDPTGS1FFAR1MEN1PTGS2
SCHEMBL11829271 0.84 ADAMTS4 (0.38) PRKAG1PRKAA2PRKAB1HPGDKDM4E
SCHEMBL11829192 0.84 HPGD (0.38) PRKAG1PRKAA2PRKAB1HPGDKDM4E
SCHEMBL11826969 0.84 AKR1C3 (0.44) HPGDKDM4EALDH1A1TP53GLA
SCHEMBL11870223 0.84 PTGS1 (0.43) PRKAG1PRKAA2PRKAB1CSNK2A1HPGD
SCHEMBL11826110 0.84 HPGD (0.38) PRKAG1PRKAA2PRKAB1HPGDKDM4E
SCHEMBL11827349 0.84 MME (0.49) PRKAG1PRKAA2PRKAB1HPGDKDM4E

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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