SCHEMBL20725833

SCHEMBL20725833

CCCCCCCCCCCCC(C)C#N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
OPRM1 P35372 1/20 0.44
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.41
DNM1 Q05193 2/20 0.40
THRB P10828 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 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
SCHEMBL15638673 1.00 TSHR (0.48) TSHROPRM1SPHK1LMNADNM1
SCHEMBL31338794 1.00 TSHR (0.48) TSHROPRM1SPHK1LMNADNM1
SCHEMBL663207 1.00 TSHR (0.48) TSHROPRM1SPHK1LMNADNM1
SCHEMBL28695900 1.00 TSHR (0.48) TSHROPRM1SPHK1LMNADNM1
SCHEMBL5495726 1.00 TSHR (0.48) TSHROPRM1SPHK1LMNADNM1
SCHEMBL196200 1.00 TSHR (0.48) TSHROPRM1SPHK1LMNADNM1
SCHEMBL25252646 1.00 TSHR (0.48) TSHROPRM1SPHK1LMNADNM1
SCHEMBL9787863 1.00 TSHR (0.48) TSHROPRM1SPHK1LMNADNM1
SCHEMBL22263515 1.00 TSHR (0.48) TSHROPRM1SPHK1LMNADNM1
SCHEMBL27697767 1.00 TSHR (0.48) TSHROPRM1SPHK1LMNADNM1

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-116261557-A Cyclic cyanoketene derivatives as KEAP1 modulators 默沙东有限责任公司 2023-06-13 CN disclosed
EP-3441382-A1 OXA ACID COMPOUND Moresco Corporation (JP) 2019-02-13 EP disclosed