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SCHEMBL3978764

SCHEMBL3978764

Cc1ccc(-c2nc3cc(Oc4c(Br)cc(CCCC(=O)O)cc4Br)ccc3[nH]2)cc1.O=C(O)CCCc1cc(Br)c(Oc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 5/20 0.43
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ NR4A2 P43354 1/20 0.38
▸ MMP2 P08253 3/20 0.38
▸ MMP13 P45452 3/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP8 P22894 2/20 0.38
▸ DGAT1 O75907 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
SCHEMBL4300893 0.96 CHEK2 (0.46) CHEK2THRATHRBNR4A2MMP2
SCHEMBL3977650 0.96 CHEK2 (0.44) CHEK2THRATHRBPPARGPPARA
SCHEMBL3978763 0.92 CHEK2 (0.40) CHEK2NR4A2MMP2MMP13MMP9
SCHEMBL4302551 0.87 CHEK2 (0.46) CHEK2THRATHRBMMP2MMP13
SCHEMBL4528770 0.83 THRA (0.46) CHEK2THRATHRBPPARGPPARA
SCHEMBL4299049 0.81 THRA (0.48) CHEK2THRATHRBPPARGPPARA
SCHEMBL4299282 0.81 THRA (0.44) CHEK2THRATHRBPPARGPPARA
SCHEMBL4299991 0.81 CHEK2 (0.43) CHEK2
SCHEMBL4299146 0.81 THRA (0.49) CHEK2THRATHRBPPARGPPARA
SCHEMBL3982935 0.77 THRA (0.54) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 — — EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 — — WO disclosed