SCHEMBL22396355

SCHEMBL22396355

CCSCCCSCCSCCCSCC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3076033 0.93
SCHEMBL25996484 0.89 TSHR (0.50) TSHRALDH1A1CYP3A4HSD17B10MEN1
SCHEMBL1867473 0.89 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4HSD17B10MEN1
SCHEMBL9183806 0.89 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4HSD17B10MEN1
SCHEMBL16357616 0.87 TSHR (0.44) TSHRALDH1A1CYP3A4HSD17B10MEN1
SCHEMBL25996485 0.86 TSHR (0.48) TSHRALDH1A1CYP3A4HSD17B10MEN1
SCHEMBL779294 0.84
SCHEMBL143129 0.82 TSHR (0.41) TSHR
SCHEMBL8350788 0.82 TSHR (0.41) TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL5168074 0.82 TDP1 (0.56) TSHRALDH1A1TDP1

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
EP-3704184-A1 ANTIOXIDANT POLYMERIC DIPHENYLAMINE COMPOSITIONS BASF SE (DE) 2020-09-09 EP disclosed