SCHEMBL2913574

SCHEMBL2913574

COc1c(-c2ccc(C(=O)O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.39
RARG P13631 7/20 0.39
RARA P10276 6/20 0.39
CRBN Q96SW2 1/20 0.38
RXRA P19793 2/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
PDE5A O76074 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
EPHX2 P34913 1/20 0.33
TNFRSF1A P19438 1/20 0.33
CSNK2A1 P68400 1/20 0.33
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32

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
SCHEMBL2915235 0.83 RARG (0.34) RARBRARGRARACRBNRXRA
SCHEMBL3001498 0.82 CRBN (0.48) RARBRARGRARACRBNCA12
SCHEMBL2915298 0.81 CRBN (0.56) CRBN
SCHEMBL2915236 0.81 CRBN (0.46) CRBN
SCHEMBL1530194 0.78 CRBN (0.60) RARBRARGRARACRBNRXRA
SCHEMBL2910151 0.78 CRBN (0.43) CRBNCA12CA1CA9
SCHEMBL2913339 0.78 ALDH1A1 (0.34) CRBNTNFRSF1A
SCHEMBL2907863 0.77 CRBN (0.42) CRBN
Methyl Alcohol SCHEMBL2913736 0.76 CRBN (0.67) CRBN
Alcohol SCHEMBL2909873 0.76 CRBN (0.64) CRBN

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-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed