SCHEMBL28274192

SCHEMBL28274192

C=C(CC1CO1)C(=O)OCCCCC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAAA Q02083 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL866089 0.98 TSHR (0.54) TSHRALDH1A1TDP1NAAASMN1; SMN2
SCHEMBL1685769 0.95 TSHR (0.45) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL9562354 0.89 ALDH1A1 (0.46) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL1491281 0.86 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL10456432 0.85 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL27764502 0.84 TSHR (0.45) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL2313682 0.84 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL9130197 0.84 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL1241845 0.84 ALDH1A1 (0.44) TSHRALDH1A1TDP1NAAASMN1; SMN2
SCHEMBL3951265 0.83 TSHR (0.42) TSHRALDH1A1SMN1; SMN2EPHX1

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
CN-109328390-A Conductive formed body with positive temperature coefficient 纺织和塑料研究协会图林根研究院 2019-02-12 CN disclosed