SCHEMBL4604141

SCHEMBL4604141

O=C(O)c1ccc(-c2ccccc2OC(F)(F)F)cc1NC(=O)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 2/20 0.43
ABL1 P00519 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
CAMKK2 Q96RR4 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
LRRK2 Q5S007 1/20 0.42
ACLY P53396 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.41
HDAC3 O15379 1/20 0.41
RIPK1 Q13546 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
SCHEMBL2275504 0.84 IGF2BP2 (0.56) DHODHPKMHDAC2ACLYIGF2BP2
SCHEMBL4617520 0.81 PRSS12 (0.56) DHODHKDM4EALDH1A1ABL1HDAC1
SCHEMBL4604120 0.80 ACLY (0.58) KDM4EALDH1A1HDAC1HDAC2ACLY
SCHEMBL3918325 0.80 HDAC1 (0.64) KDM4EALDH1A1ABL1HDAC1HDAC2
SCHEMBL4221963 0.79 DHODH (0.49) DHODHCAMKK2FFAR4ACLY
SCHEMBL4602392 0.76 HDAC1 (0.56) DHODHKDM4EALDH1A1ABL1HDAC1
SCHEMBL1316613 0.76 SCN10A (0.49) DHODHALDH1A1ABL1CAMKK2ACLY
SCHEMBL4604019 0.75 SMN1; SMN2 (0.47) GAAALDH1A1HDAC1HDAC2RXFP1
SCHEMBL2270149 0.74 ACLY (0.57) KDM4EALDH1A1HDAC1HDAC2ACLY
SCHEMBL4222995 0.74 KDM4E (0.52) KDM4EACLYIGF2BP2

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-1940786-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2008-07-09 EP disclosed
WO-2007031791-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-03-22 WO disclosed