SCHEMBL4034320

SCHEMBL4034320

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ MME P08473 7/20 0.40
▸ ACE P12821 7/20 0.40
▸ CPA1 P15085 2/20 0.40
▸ ACE2 Q9BYF1 2/20 0.40
▸ PIN1 Q13526 1/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ SDCBP O00560 1/20 0.39
▸ SDC2 P34741 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL4034324 1.00 PPARG (0.41) PPARGPPARDPPARAMMEACE
SCHEMBL5407004 0.87 CTRB1 (0.40) PPARGPPARA
SCHEMBL30510366 0.87 CTRB1 (0.40) PPARGPPARA
SCHEMBL4600067 0.87 CTRB1 (0.40) PPARGPPARA
SCHEMBL4600752 0.87 CTRB1 (0.40) PPARGPPARA
SCHEMBL1405759 0.87 LDHA (0.51) MMP1MEN1KMT2A
SCHEMBL4600010 0.87 LDHA (0.47) PPARGPPARAMMP9KMT2A
SCHEMBL30510242 0.87 LDHA (0.47) PPARGPPARAMMP9KMT2A
SCHEMBL25183036 0.86 RAB9A (0.43) PPARAMMP9MMP8MMP1MEN1
SCHEMBL4183822 0.86 PIN1 (0.36) PPARGPPARAMMEACECPA1

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
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 — — EP disclosed
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