SCHEMBL28849079

SCHEMBL28849079

CC1(C)CCCC(C)(C)N1CCCCl

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1929167 0.86 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL10170322 0.85 TSHR (0.35) TSHRNFKB1CYP2C19
Hydrochloric Acid SCHEMBL1928089 0.84 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL10171050 0.83 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL10171052 0.83 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL10170323 0.83 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL10170023 0.80 TSHR (0.38) TSHRNFKB1CYP2C19
SCHEMBL5083427 0.79 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL11548301 0.77 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL9839237 0.77 S1PR1 (0.33) TSHRNFKB1CYP2C19

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-106967048-A A kind of new light stabilizer and preparation method thereof 宿迁万康新材料有限公司 2017-07-21 CN claimed