SCHEMBL3825019

SCHEMBL3825019

CCCc1nc2c(NC(=O)OC(C)(C)C)cccc2n1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.42
▸ APEX1 P27695 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ PPARG P37231 5/20 0.38
▸ ACSS2 Q9NR19 1/20 0.38
▸ AKR1B10 O60218 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ GPR139 Q6DWJ6 1/20 0.37
▸ BRD9 Q9H8M2 1/20 0.37
▸ MTTP P55157 1/20 0.37

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
SCHEMBL1890948 0.77 ACSS2 (0.48) TLR7APEX1BRD4ACSS2
SCHEMBL1889761 0.74 KDM4E (0.44) TLR7PPARGPPARA
SCHEMBL1585672 0.72 BRD4 (0.54) TLR7BRD4P2RX7BRD9
SCHEMBL1886847 0.71 BRD4 (0.38) BRD4
SCHEMBL1885760 0.71 DCTPP1 (0.42) PPARGPPARA
SCHEMBL31047346 0.69 OPRM1 (0.41) BRD4P2RX7
SCHEMBL7712674 0.69 P2RX7 (0.48) BRD4PPARGP2RX7CNR2BRD9
SCHEMBL1882734 0.69 ACSS2 (0.46) TLR7BRD4ACSS2
SCHEMBL5757395 0.68 POLB (0.47) BRD4CNR2BRD9
SCHEMBL31613842 0.68 OPRM1 (0.39) BRD4P2RX7BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814865-A4 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-09-02 — — EP disclosed
EP-1814865-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-08-08 — — EP disclosed
WO-2006034418-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 — — WO disclosed
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