SCHEMBL9714408

SCHEMBL9714408

CCCCCCCCCCCCC(C=O)CCCC

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
ADH1B P00325 2/20 0.48
ADH1C P00326 2/20 0.48
ADH1A P07327 2/20 0.48
ADH4 P08319 2/20 0.48
ADH7 P40394 2/20 0.48
DNM1 Q05193 2/20 0.46
CA2 P00918 1/20 0.43
MAPT P10636 2/20 0.42
TRPA1 O75762 1/20 0.42
DDAH1 O94760 1/20 0.42
GAPDH P04406 1/20 0.42
FDPS P14324 4/20 0.41
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL2920547 1.00 TSHR (0.70) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL9257929 1.00 TSHR (0.70) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL10403846 1.00 TSHR (0.70) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL29291467 1.00 TSHR (0.70) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL729815 1.00 TSHR (0.70) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL29291473 1.00 TSHR (0.70) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL2926136 1.00 TSHR (0.70) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL28418848 1.00 TSHR (0.70) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL10491642 1.00 TSHR (0.70) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL7772441 0.98 TSHR (0.67) TSHRSMN1; SMN2ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4846991-A SHAMPOO, HAIR RINSING AGENT, ANIONIC SURFACTANTS KAO CORPORATION (JP) 1989-07-11 US claimed
CN-109790284-B Polyphenol compound and process for producing the same 三菱化学株式会社 2021-09-21 CN disclosed
EP-0278370-B1 NOVEL FATTY ACID-LACTIC ACID ESTER Kao Corporation (JP) 1992-01-02 EP disclosed
US-4846991-A SHAMPOO, HAIR RINSING AGENT, ANIONIC SURFACTANTS KAO CORPORATION (JP) 1989-07-11 US disclosed
EP-0278370-A2 Novel fatty acid-lactic acid ester Kao Corporation (JP) 1988-08-17 EP disclosed