SCHEMBL29286404

SCHEMBL29286404

CCCCCCCCCCCCNCCCN(CCC)CCC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PAOX Q6QHF9 2/20 0.47
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR5 Q9H228 1/20 0.44
EPHX1 P07099 3/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
DNM1 Q05193 1/20 0.37

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
SCHEMBL11799766 0.93 ALDH1A1 (0.62) TSHRALDH1A1PAOXS1PR2S1PR4
SCHEMBL6722890 0.93 ALDH1A1 (0.62) TSHRALDH1A1PAOXS1PR2S1PR4
SCHEMBL5703952 0.93 ALDH1A1 (0.62) TSHRALDH1A1PAOXS1PR2S1PR4
SCHEMBL29286427 0.93 TSHR (0.62) TSHRALDH1A1PAOXS1PR2S1PR4
SCHEMBL14943785 0.91 TSHR (0.50) TSHRALDH1A1PAOXCYP1A2CYP2C19
SCHEMBL18985376 0.91 TSHR (0.65) TSHRALDH1A1PAOXS1PR2S1PR4
SCHEMBL4640346 0.91 TSHR (0.65) TSHRALDH1A1PAOXS1PR2S1PR4
SCHEMBL626029 0.91 TSHR (0.65) TSHRALDH1A1PAOXS1PR2S1PR4
SCHEMBL6657028 0.91 TSHR (0.50) TSHRALDH1A1PAOXS1PR2S1PR4
SCHEMBL10961390 0.91 TSHR (0.65) TSHRALDH1A1PAOXS1PR2S1PR4

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-113301965-A Hair care system, hair care method and use of hair care system 欧莱雅 2021-08-24 CN disclosed
CN-113271917-A Hair care and conditioning composition 莱雅公司 2021-08-17 CN disclosed