SCHEMBL12969427

SCHEMBL12969427

CCC(CC)(Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(C(C)C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL11993883 0.89 MMP13 (0.44) MMP13ALDH1A1NR3C1ACACBACACA
SCHEMBL11993972 0.86 MMP13 (0.39) MMP13ALDH1A1NR3C1ACACBACACA
SCHEMBL10227062 0.84 SLC6A9 (0.43) MMP13ALDH1A1NR3C1ACACBACACA
SCHEMBL13953893 0.83 ALDH1A1 (0.41) MMP13ALDH1A1NR3C1ACACBACACA
SCHEMBL12113380 0.82 ACACB (0.42) MMP13ALDH1A1ACACBACACASMN1; SMN2
SCHEMBL11926715 0.81 LMNA (0.41) ALDH1A1SMN1; SMN2MAPK1LMNAMAPT
SCHEMBL14599493 0.81 MMP13 (0.53) MMP13ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL14511013 0.81 MMP13 (0.53) MMP13ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL758563 0.81 MMP13 (0.53) MMP13ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL12509743 0.80 MMP13 (0.35) MMP13ALDH1A1NR3C1SMN1; SMN2MAPK1

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-20120251919-A1 POLYARYLENE-BASED COPOLYMER AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 — — US disclosed
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