SCHEMBL9712903

SCHEMBL9712903

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
GRM5 P41594 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MCHR1 Q99705 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
NLRP1 Q9C000 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDE4D Q08499 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9713049 0.87 ALDH1A1 (0.36) TSHRTP53NPC1RAB9AMAPT
SCHEMBL9712935 0.86 TSHR (0.49) TSHRTP53TRPV1NPC1RAB9A
SCHEMBL9712871 0.74 MCHR1 (0.33) TSHRTP53GRM5TRPV1NPC1
SCHEMBL9712993 0.67 KDM4E (0.43) TSHRTP53MAPTALDH1A1LMNA
SCHEMBL9712698 0.65 BRAF (0.41) TP53NPC1RAB9AMAPTALDH1A1
SCHEMBL19833132 0.64 ESR1 (0.34) TSHR
SCHEMBL9713661 0.64 ALDH1A1 (0.40) TSHRTP53MAPTALDH1A1PKM
SCHEMBL9712943 0.63 CYP1A2 (0.41) TSHRTP53RAB9AGAAHTT
SCHEMBL9712779 0.63 TP53 (0.43) TSHRTP53TRPV1NPC1RAB9A
SCHEMBL9713015 0.63 ALDH1A1 (0.48) TSHRTP53NPC1RAB9AMAPT

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 6 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
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed