SCHEMBL21342880

SCHEMBL21342880

C=CCCCCNC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.36
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
TRPA1 O75762 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL21342738 0.98 TSHR (0.46) TSHRALDH1A1LMNAHRH4HRH3
SCHEMBL18639691 0.98 TSHR (0.46) TSHRALDH1A1LMNAHRH4HRH3
SCHEMBL14773334 0.93 TSHR (0.42) TSHRALDH1A1LMNAHRH4HRH3
SCHEMBL7834390 0.79 HRH4 (0.43) TSHRALDH1A1HRH4HRH3POLB
SCHEMBL7678099 0.76 TSHR (0.42) TSHRALDH1A1HRH4HRH3POLB
SCHEMBL14176497 0.76 HRH4 (0.45) ALDH1A1HRH4HRH3POLB
SCHEMBL13884243 0.76 HRH4 (0.45) ALDH1A1HRH4HRH3POLB
SCHEMBL13884273 0.76 HRH4 (0.45) ALDH1A1HRH4HRH3POLB
SCHEMBL13884287 0.76 HRH4 (0.45) ALDH1A1HRH4HRH3POLB
SCHEMBL1276622 0.76 HRH4 (0.45) ALDH1A1HRH4HRH3POLB

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
WO-2019173640-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INSULIN RESISTANCE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-09-12 WO disclosed