SCHEMBL8315341

SCHEMBL8315341

[CH2]CCC(C=O)N(CCCC)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 1/20 0.30

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
SCHEMBL8311760 0.77 TSHR (0.34) TSHRSMN1; SMN2
SCHEMBL572057 0.70 MEN1 (0.48) TSHR
SCHEMBL8314150 0.68
SCHEMBL27647201 0.66
SCHEMBL7675425 0.66 TSHR (0.40) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL8311357 0.66
SCHEMBL28850933 0.63 TSHR (0.64) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL7679811 0.63 TSHR (0.41) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL27260031 0.63 TSHR (0.42) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL131403 0.63 MEN1 (0.46)

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
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed