SCHEMBL15836552

SCHEMBL15836552

CC1(C)C[C@@H](N=C=O)C[C@@](C)(CNC(=O)O)C1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.42
APLNR P35414 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
SCHEMBL9472521 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRAPLNR
SCHEMBL16321574 0.90 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHR
SCHEMBL811112 0.89 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHR
SCHEMBL12644301 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHR
SCHEMBL16808763 0.87 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHR
SCHEMBL10816128 0.87 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHR
SCHEMBL17410249 0.86 TSHR (0.59) ALDH1A1CYP3A4TSHR
SCHEMBL12390924 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHR
SCHEMBL9344957 0.86 TSHR (0.59) ALDH1A1CYP3A4TSHR
SCHEMBL14037690 0.85 ALDH1A1 (0.65) ALDH1A1CYP3A4TSHR

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-2935369-B1 HYDROPHILIC FLUOROPOLYMER SOLVAY SPECIALTY POLYMERS IT (IT) 2017-05-17 EP disclosed
WO-2014095902-A1 HYDROPHILIC FLUOROPOLYMER SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2014-06-26 WO disclosed