SCHEMBL9864529

SCHEMBL9864529

C=CC(=O)Nc1ccc(C(C)(C)C)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 10/20 0.56
▸ F13A1 P00488 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TGM1 P22735 1/20 0.47
▸ TGM3 Q08188 1/20 0.47
▸ GSTO1 P78417 1/20 0.47
▸ EGFR P00533 2/20 0.45
▸ FYN P06241 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ CFTR P13569 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.42
▸ NOX1 Q9Y5S8 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL28295696 0.80 TGM2 (0.56) TGM2F13A1LMNATGM1TGM3
SCHEMBL22719498 0.79 TGM2 (0.61) TGM2F13A1LMNATGM1TGM3
SCHEMBL10745608 0.79 ALDH1A1 (0.64) TGM2F13A1LMNATGM1TGM3
SCHEMBL24599224 0.78 SMN1; SMN2 (0.49) CFTRTRPV1NR1H4GAA
SCHEMBL4659899 0.77 TGM2 (0.53) TGM2F13A1LMNATGM1TGM3
SCHEMBL29767497 0.76 TGM2 (0.61) TGM2F13A1LMNATGM1TGM3
SCHEMBL28546969 0.76 TGM2 (0.61) TGM2F13A1LMNATGM1TGM3
SCHEMBL20500840 0.76 TGM2 (0.61) TGM2F13A1LMNATGM1TGM3
SCHEMBL30152335 0.75 TGM2 (0.59) TGM2F13A1LMNATGM1TGM3
SCHEMBL24968501 0.75 TGM2 (0.59) TGM2F13A1LMNATGM1TGM3

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-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 — — EP disclosed
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