SCHEMBL9411528

SCHEMBL9411528

C=CC(=O)CCN(CCC(=O)C=C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL1059458 0.75
SCHEMBL4247084 0.72 GABRP (0.42) TSHRALDH1A1
SCHEMBL10757549 0.71 ALDH1A1 (0.48) TSHRALDH1A1
SCHEMBL17232315 0.71 KMT2A (0.56) TSHRALDH1A1
SCHEMBL1734719 0.70
SCHEMBL278948 0.70
SCHEMBL9411585 0.70
SCHEMBL13451141 0.69 TSHR (0.52) TSHRALDH1A1
SCHEMBL3200640 0.69 ABCC4 (0.39) TSHRALDH1A1
SCHEMBL12286047 0.69 ZDHHC20 (0.47) TSHRALDH1A1

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-0598171-A1 Nitrogen bridge tetrahydroisoquinolines Anaquest, Inc. (US) 1994-05-25 EP disclosed
US-5240939-A Muscle relaxants ANAQUEST, INC. (US) 1993-08-31 US disclosed