SCHEMBL28040370

SCHEMBL28040370

Cc1[c]c(C)cc(C)c1.[Li]C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
ACHE P22303 1/20 0.32
RAPGEF4 Q8WZA2 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
SCHEMBL18896 0.93
SCHEMBL3891669 0.90 ALDH1A1 (0.37) ALDH1A1TSHRSELLSELPSELE
SCHEMBL9982849 0.90 ALDH1A1 (0.37) ALDH1A1TSHRSELLSELPSELE
SCHEMBL27921848 0.90 ALDH1A1 (0.37) ALDH1A1TSHRSELLSELPSELE
SCHEMBL3888279 0.90 ALDH1A1 (0.37) ALDH1A1TSHRSELLSELPSELE
SCHEMBL23531515 0.90 ALDH1A1 (0.37) ALDH1A1TSHRSELLSELPSELE
SCHEMBL669285 0.90 ALDH1A1 (0.37) ALDH1A1TSHRSELLSELPSELE
SCHEMBL3887319 0.90 ALDH1A1 (0.37) ALDH1A1TSHRSELLSELPSELE
SCHEMBL27626628 0.90 ALDH1A1 (0.37) ALDH1A1TSHRSELLSELPSELE
Benzene SCHEMBL8022186 0.87 ACHE (0.37) ALDH1A1TSHRSELLSELPSELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed