SCHEMBL11257495

SCHEMBL11257495

[CH2]CCC(C)C1CCCCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
EPHX1 P07099 1/20 0.36
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5541917 1.00 SHBG (0.41) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL5542682 1.00 SHBG (0.41) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL5542043 1.00 SHBG (0.41) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL20600327 1.00 SHBG (0.41) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL5545142 0.98 SHBG (0.37) SHBGEPHX1TP53
SCHEMBL5542322 0.93
SCHEMBL5544181 0.87
SCHEMBL6740280 0.86 SHBG (0.38) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL6741115 0.86 SHBG (0.38) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL6742975 0.86 SHBG (0.38) SHBGEPHX1TP53KDM4EGMNN

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 9 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
EP-0003081-B1 THIAZOLIDINECARBOTHIOAMIDES, THEIR PREPARATION, COMPOSITIONS AND USE AS INSECTICIDES ELI LILLY AND COMPANY (US) 1981-12-30 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-0002939-A2 Novel carbothioamides, compositions containing them and their preparation ELI LILLY AND COMPANY (US) 1979-07-11 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