SCHEMBL7848544

SCHEMBL7848544

CC(C)c1ccc(C(=O)c2ccccc2C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
AKR1C3 P42330 3/20 0.46
NR4A1 P22736 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
CDC25B P30305 1/20 0.43
ATM Q13315 1/20 0.43
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP5 P45974 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
XBP1 P17861 1/20 0.41
LIG1 P18858 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
SCHEMBL7648621 0.84 AKR1C3 (0.66) AKR1C3NR4A1CDC25BATMCYP2C9
SCHEMBL30816995 0.83 MAPT (0.65) HTTMAPTGAAKDM4EALDH1A1
SCHEMBL10373078 0.83 MAPT (0.65) HTTMAPTGAAKDM4EALDH1A1
SCHEMBL9712580 0.83 NR4A1 (0.50) AKR1C3NR4A1CDC25BATMCYP2C9
SCHEMBL11858542 0.81 LIG1 (0.65) HTTAKR1C3NR4A1CYP2C9GAA
SCHEMBL4639275 0.80 AKR1C3 (0.70) HTTAKR1C3CDC25BATMMAPT
SCHEMBL2175941 0.80 NR4A1 (0.70) AKR1C3NR4A1CYP2C9MAPTKMT2A
SCHEMBL11529162 0.79 ESRRA (0.56) HTTAKR1C3NR4A1CYP2C9MAPT
SCHEMBL1466509 0.79 AKR1C3 (0.68) AKR1C3NR4A1CDC25BATMMAPT
SCHEMBL7849772 0.78 LIG1 (0.66) HTTAKR1C3NR4A1CDC25BATM

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
US-6328793-B1 FOR USE IN INK JET PRINTING PROCESSES, INCLUDING PIEZOELECTRIC INK JET PRINTING, ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-12-11 US claimed
US-6328793-B1 FOR USE IN INK JET PRINTING PROCESSES, INCLUDING PIEZOELECTRIC INK JET PRINTING, ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-12-11 US disclosed