SCHEMBL11250690

SCHEMBL11250690

[CH2]C(C)CCCC/C=C/C/C=C/CCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
F7 P08709 3/20 0.49
F3 P13726 3/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
DUSP3 P51452 1/20 0.49
PTPN7 P35236 1/20 0.49
FFAR1 O14842 1/20 0.49
LMNA P02545 1/20 0.49
FABP3 P05413 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP19A1 P11511 1/20 0.49
FABP4 P15090 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
PTGS1 P23219 1/20 0.49

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
SCHEMBL11250694 1.00 TRPV1 (0.50) TRPV1ALDH1A1KDM4EF7F3
SCHEMBL28198949 0.94 FAAH (0.50) TRPV1F7F3PPARGPPARD
SCHEMBL28238445 0.94 FAAH (0.50) TRPV1F7F3PPARGPPARD
SCHEMBL28237369 0.94 FAAH (0.50) TRPV1F7F3PPARGPPARD
SCHEMBL6949363 0.90 FAAH (0.50) TRPV1F7F3PPARGPPARD
SCHEMBL6949367 0.90 FAAH (0.50) TRPV1F7F3PPARGPPARD
SCHEMBL19040782 0.88 TRPV1 (0.53) TRPV1ALDH1A1KDM4EF7F3
SCHEMBL7294690 0.88 FAAH (0.41) TRPV1ALDH1A1F7F3FFAR1
SCHEMBL7294697 0.88 FAAH (0.41) TRPV1ALDH1A1F7F3FFAR1
SCHEMBL28676449 0.86 FAAH (0.50) TRPV1F7F3PPARGPPARD

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
EP-0002938-B1 NOVEL HETEROCYCLIC CARBOTHIOAMIDES, COMPOSITIONS CONTAINING THEM, THEIR PREPARATION AND USE ELI LILLY AND COMPANY (US) 1982-05-12 EP disclosed
EP-0002939-B1 NOVEL CARBOTHIOAMIDES, COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION ELI LILLY AND COMPANY (US) 1982-04-21 EP disclosed
US-4289778-A SYSTEMIC INSECTICIDES ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4289766-A Heterocyclic carbothioamides ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4195092-A INSECTICIDES FOR TREATING MEXICAN BEAN BEETLE ELI LILLY AND COMPANY (US) 1980-03-25 US disclosed
EP-0003081-A2 Thiazolidinecarbothioamides, their preparation, compositions and use as insecticides ELI LILLY AND COMPANY (US) 1979-07-25 EP disclosed
EP-0002938-A2 Novel heterocyclic carbothioamides, compositions containing them, their preparation and use ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed
EP-0002939-A2 Novel carbothioamides, compositions containing them and their preparation ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed