SCHEMBL9712993

SCHEMBL9712993

CCCCCCCCCC(C)(CC)c1ccc(NC(=O)c2c(OC)cccc2OC)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARA Q07869 1/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
PLK1 P53350 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ACAT1 P24752 1/20 0.38
SOAT1 P35610 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL9712774 0.89 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10CYP3A4CYP1A2
SCHEMBL9712770 0.80 CYP1A2 (0.53) KDM4EALDH1A1HSD17B10CYP3A4CYP1A2
SCHEMBL9712935 0.80 TSHR (0.49) KDM4EALDH1A1HSD17B10CYP3A4CYP1A2
SCHEMBL9713305 0.78 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10TP53TSHR
SCHEMBL9713718 0.76 CYP1A2 (0.57) KDM4EALDH1A1HSD17B10CYP3A4CYP1A2
SCHEMBL9713049 0.76 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10CYP3A4CYP1A2
SCHEMBL9712835 0.76 CYP1A2 (0.47) KDM4EALDH1A1HSD17B10CYP3A4CYP1A2
SCHEMBL9712887 0.75 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10CYP3A4CYP1A2
SCHEMBL9712828 0.74 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10TP53TSHR
SCHEMBL9713084 0.73 CYP1A2 (0.47) KDM4EALDH1A1HSD17B10CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0024324-B1 FOAMABLE SYNTHETIC RESIN COMPOSITIONS THAT CONTAIN A GLYCOL ESTER COMPOUND, AND PROCESS FOR PREPARING RESIN FOAMS THE DOW CHEMICAL COMPANY (US) 1984-11-14 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed