SCHEMBL28996019

SCHEMBL28996019

CCCCCCCCCC(C)Cl.CCCCCCCCCCCCl

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ALDH1A1 P00352 1/20 0.62
TDP1 Q9NUW8 1/20 0.46
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 1/20 0.40
LMNA P02545 1/20 0.39
DNM1 Q05193 2/20 0.39
THRB P10828 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
FAAH O00519 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
GPR84 Q9NQS5 2/20 0.35
FDPS P14324 2/20 0.35

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
SCHEMBL28996073 1.00 TSHR (0.62) TSHRALDH1A1TDP1OPRM1SPHK1
SCHEMBL29055263 0.95 TSHR (0.62) TSHRALDH1A1TDP1OPRM1SPHK1
SCHEMBL9397212 0.90 OPRM1 (0.50) TSHRALDH1A1OPRM1SPHK1LMNA
SCHEMBL10672543 0.90
SCHEMBL14646601 0.90 OPRM1 (0.50) TSHRALDH1A1OPRM1SPHK1LMNA
SCHEMBL23138492 0.90 OPRM1 (0.50) TSHRALDH1A1OPRM1SPHK1LMNA
SCHEMBL20957477 0.90 OPRM1 (0.50) TSHRALDH1A1OPRM1SPHK1LMNA
SCHEMBL20957489 0.90 OPRM1 (0.50) TSHRALDH1A1OPRM1SPHK1LMNA
SCHEMBL20957520 0.90 OPRM1 (0.50) TSHRALDH1A1OPRM1SPHK1LMNA
SCHEMBL14506569 0.90 OPRM1 (0.50) TSHRALDH1A1OPRM1SPHK1LMNA

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-116057721-A Binder composition for electrochemical element, conductive material dispersion for electrochemical element, slurry for electrochemical element electrode, electrode for electrochemical element, and electrochemical element 日本瑞翁株式会社 2023-05-02 CN disclosed