SCHEMBL4774067

SCHEMBL4774067

CCc1cc(OC)cc2[nH]c(-c3ccc(C(=O)O)cc3)c(C#N)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
CHEK2 O96017 2/20 0.42
GRIA2 P42262 2/20 0.40
GRIA4 P48058 2/20 0.40
RXRB P28702 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4779864 0.88 NOX1 (0.41) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4879715 0.80 PIM1 (0.44) KDM4EMEN1KMT2AALDH1A1GLA
SCHEMBL8590356 0.78 TUBB4A (0.48) CYP1A2CYP2C19KDM4EMEN1MAPT
SCHEMBL8589109 0.74 NOX1 (0.46) CYP1A2CYP2C19KDM4EMEN1MAPT
SCHEMBL4778723 0.68 ALDH1A1 (0.33) CYP1A2CYP2C19KDM4EMEN1MAPT
SCHEMBL2997363 0.67 SRD5A2 (0.63) RXRACYP1A2CYP2C19KDM4EMEN1
SCHEMBL10097356 0.64 ALDH1A1 (0.53) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL20068149 0.64 ACMSD (0.67) CHEK2POLB
SCHEMBL2035502 0.64 RXRA (1.00) RXRAKDM4ERXRBCA1CA2
SCHEMBL10097344 0.63 MAOA (0.51) CYP1A2KDM4EMEN1MAPTKMT2A

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-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed