SCHEMBL9712935

SCHEMBL9712935

CCCOc1cccc(OCCC)c1C(=O)Nc1ccc(C(C)(CC)CC)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
CHRNB2 P17787 5/20 0.38
CHRNA4 P43681 5/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
TRPV1 Q8NER1 1/20 0.38
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36

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 0.87 ALDH1A1 (0.49) TSHRTP53LMNANPSR1MAPT
SCHEMBL9712903 0.86 TSHR (0.35) TSHRTP53LMNANPSR1MAPT
SCHEMBL9712993 0.80 KDM4E (0.43) TSHRTP53LMNAMAPTALDH1A1
SCHEMBL9712770 0.74 CYP1A2 (0.53) TSHRTP53LMNAMAPTRXFP1
SCHEMBL9712779 0.74 TP53 (0.43) TSHRTP53LMNANPSR1MAPT
SCHEMBL9713049 0.73 ALDH1A1 (0.36) TSHRTP53LMNAMAPTGAA
SCHEMBL9713651 0.70 TSHR (0.55) TSHRTP53LMNANPSR1MAPT
SCHEMBL11105736 0.66 ALDH1A1 (0.49) TSHRTP53LMNAMAPTGAA
SCHEMBL9713311 0.66 CA9 (0.50) TSHRTP53LMNANPSR1MAPT
SCHEMBL9713168 0.65 CYP1A2 (0.64) TSHRTP53LMNANPSR1MAPT

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 8 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-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed