SCHEMBL18725172

SCHEMBL18725172

CCOC(=O)C=C(c1cc(F)cc(OCc2ccccc2)c1)c1nnc(C)o1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NR1H4 Q96RI1 1/20 0.38
▸ MAOB P27338 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ PTGER1 P34995 1/20 0.36
▸ NR4A2 P43354 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL16137688 1.00 KMT2A (0.40) KMT2AMEN1NR1H4MAOBBRD4
SCHEMBL16114823 0.89 MRGPRX4 (0.40) KMT2AMEN1NR1H4MAOBBRD4
SCHEMBL16114824 0.89 MRGPRX4 (0.40) KMT2AMEN1NR1H4MAOBBRD4
SCHEMBL16137689 0.83 KMT2A (0.47) KMT2AMEN1MAOBBRD4PTGER1
SCHEMBL16137781 0.78 BRD4 (0.38) KMT2AMEN1NR1H4MAOBBRD4
SCHEMBL18725150 0.76 MAOB (0.37) KMT2AMEN1NR1H4MAOBBRD4
SCHEMBL18725149 0.76 MAOB (0.37) KMT2AMEN1NR1H4MAOBBRD4
SCHEMBL11175805 0.72 MEN1 (0.57) KMT2AMEN1NR1H4MAOBLMNA
SCHEMBL11175800 0.72 MEN1 (0.57) KMT2AMEN1NR1H4MAOBLMNA
SCHEMBL16115770 0.71 MRGPRX4 (0.47) KMT2AMEN1MAOBBRD4LMNA

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-2978754-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-10 — — EP disclosed
EP-2978747-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-04-19 — — EP disclosed
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