SCHEMBL8680665

SCHEMBL8680665

CCC(C(=O)O)c1ccc(C(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.58
CDC25B P30305 2/20 0.56
ATM Q13315 1/20 0.56
NR4A1 P22736 1/20 0.54
HSD17B10 Q99714 2/20 0.51
CDC25A P30304 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 3/20 0.48
KDM4E B2RXH2 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
RAB9A P51151 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1A P35348 1/20 0.44
AKR1C2 P52895 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL7708493 0.85 LMNA (0.56) AKR1C3HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL7708494 0.85 LMNA (0.56) AKR1C3HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL9090698 0.85 ALDH1A1 (0.51) AKR1C3CDC25BATMNR4A1HSD17B10
SCHEMBL7347365 0.81 AKR1C3 (0.58) AKR1C3HSD17B10ALDH1A1LMNAPOLB
SCHEMBL11304965 0.81 AKR1C3 (0.62) AKR1C3CDC25BATMNR4A1HSD17B10
SCHEMBL7648621 0.80 AKR1C3 (0.66) AKR1C3CDC25BATMNR4A1HSD17B10
Benzophenone SCHEMBL27761907 0.80 LMNA (0.57) HSD17B10ALDH1A1LMNAPOLBKDM4E
SCHEMBL65737 0.79 LMNA (0.59) HSD17B10ALDH1A1LMNAPOLBHTR1A
SCHEMBL20769804 0.79 LMNA (0.59) HSD17B10ALDH1A1LMNAPOLBHTR1A
SCHEMBL67237 0.79 LMNA (0.59) HSD17B10ALDH1A1LMNAPOLBHTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5683793-A Ink jet transparencies XEROX CORPORATION (US) 1997-11-04 US claimed
US-20090220752-A1 Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate, and method of manufacturing relief printing plate FUJIFILM CORPORATION (JP) 2009-09-03 US disclosed
EP-2095947-A1 Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate, and method of manufacturing relief printing plate FUJIFILM Corporation (JP) 2009-09-02 EP disclosed
US-5757408-A PRINTING IMAGE ON SUBSTRATE COATED WITH AMINO-ACID DERIVATIVE ADDITIVE; QUICK DRYING OF INK, OPTICAL DENSITY, NONCURLING XEROX CORPORATION (US) 1998-05-26 US disclosed
US-5683793-A Ink jet transparencies XEROX CORPORATION (US) 1997-11-04 US disclosed