SCHEMBL10069629

SCHEMBL10069629

Cc1cccc(-c2c(C(C)C)c(=O)n(O)c(=O)n2COCc2ccc(F)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.35
RGS8 P57771 1/20 0.35
AR P10275 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
GNRHR P30968 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CTSB P07858 3/20 0.32
CCKBR P32239 1/20 0.32
GRM5 P41594 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL10069598 0.91 TP53 (0.33) ARGRM5TP53MAPT
SCHEMBL10069606 0.91 ALDH1A1 (0.37) ARALDH1A1MAPK1POLBCTSB
SCHEMBL10069611 0.89 L3MBTL1 (0.36) ARALDH1A1GNRHRKDM4EGRM5
SCHEMBL10069631 0.88 RGS4 (0.34) RGS4RGS8ARALDH1A1KDM4E
SCHEMBL10069619 0.88 KDM5B (0.34) ARGNRHRTP53MAPT
SCHEMBL10069601 0.85 ALDH1A1 (0.36) ALDH1A1MAPK1GNRHRKDM4EHPGD
SCHEMBL10069626 0.83 HPD (0.34) ALDH1A1MAPK1POLBCTSB
SCHEMBL10069596 0.83 MAPT (0.36) RGS4RGS8ALDH1A1MAPK1POLB
SCHEMBL10069595 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1GRM5LMNA
SCHEMBL10069590 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1POLBCTSSLMNA

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
WO-2012047993-A2 N-HYDROXYPYRIMIDINE-2,4-DIONES AS INHIBITORS OF HIV AND HCV REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-04-12 WO disclosed