SCHEMBL7660684

SCHEMBL7660684

CCCCCCCOC(=O)CC(N)CC(=O)c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
NAAA Q02083 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37

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
SCHEMBL7672047 0.80 ALDH1A1 (0.42) ALDH1A1TSHRLMNANAAAKDM4E
SCHEMBL28237994 0.79 NAAA (0.39) ALDH1A1TSHRLMNANAAATP53
SCHEMBL7666889 0.77 NPC1 (0.47) ALDH1A1TSHRLMNANAAATP53
SCHEMBL8072408 0.77 ALDH1A1 (0.49) ALDH1A1TSHRLMNANAAAKDM4E
SCHEMBL8063795 0.77 ALDH1A1 (0.49) ALDH1A1TSHRLMNANAAAKDM4E
SCHEMBL7674007 0.77 ALDH1A1 (0.49) ALDH1A1TSHRLMNANAAAKDM4E
SCHEMBL7691680 0.75 CNR1 (0.44) ALDH1A1NAAANPC1MAPTRAB9A
SCHEMBL7674818 0.74 ESR1 (0.46) ALDH1A1TSHRNAAATP53NPC1
SCHEMBL7689139 0.74 ESR1 (0.46) ALDH1A1TSHRNAAATP53NPC1
SCHEMBL7665297 0.74 TP53 (0.48) ALDH1A1TSHRPOLBTP53NPC1

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-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US claimed