SCHEMBL7737952

SCHEMBL7737952

CCCCCCCCCCCCOCCCOC(=O)c1cc2ccccc2c(C(N)=O)c1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
KDM4A O75164 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL5585933 0.96 TSHR (0.56) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL7196720 0.96 TSHR (0.56) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL11878219 0.94 TSHR (0.55) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL11333818 0.86 ALDH1A1 (0.51) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL11443192 0.83 TDP1 (0.41) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL11338520 0.83 KMT2A (0.48) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL11331285 0.82 SCN1A (0.51) TSHRALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL4579547 0.81 CDC25B (0.50) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL11334807 0.81 MAPK1 (0.51) ALDH1A1HSD17B10MAPK1
SCHEMBL11450325 0.81 MEN1 (0.40) TSHRALDH1A1KDM4EHSD17B10POLB

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
US-6465392-B1 HEAT-SENSITIVE RECORDING MATERIAL INCLUDING A HEAT-SENSITIVE RECORDING LAYER AND A PROTECTIVE LAYER PROVIDED ON A SUBSTRATE; EXCELLENT SCRATCH RESISTANCE AND CAUSES NO STICKING AND RESIDUE ADHESION AT A HEAT-SENSITIVE RECORDING HEAD FUJI PHOTO FILM CO., LTD. (JP) 2002-10-15 US disclosed