SCHEMBL28295043

SCHEMBL28295043

CCC(C)c1cc2[nH]nnc2c(-c2ccccc2)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
RORC P51449 1/20 0.30
CHEK1 O14757 1/20 0.30
AKT2 P31751 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
SCHEMBL28971638 0.79 AKT2 (0.36) TSHRCHEK1AKT2
SCHEMBL28868747 0.70 DPP4 (0.35) CHEK1AKT2
SCHEMBL27537520 0.69 AKT2 (0.39) CHEK1AKT2
SCHEMBL29808140 0.69 TSHR (0.46) TSHRRORC
SCHEMBL9222918 0.68 TSHR (0.42) TSHR
SCHEMBL28721307 0.68 CHEK1 (0.33) CHEK1AKT2
SCHEMBL2730776 0.66 RORC (0.33) RORC
SCHEMBL27471910 0.66 RORC (0.35) RORC
SCHEMBL8844814 0.66 AKT2 (0.41) CHEK1AKT2
SCHEMBL9238839 0.66 AKT2 (0.41) CHEK1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109804008-A Cap or closure made of resin composition comprising polyethylene 道达尔研究技术弗吕公司 2019-05-24 CN claimed
CN-109804008-A Cap or closure made of resin composition comprising polyethylene 道达尔研究技术弗吕公司 2019-05-24 CN disclosed