SCHEMBL5998397

SCHEMBL5998397

C=CC[C@@](O)(C(=O)O)C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 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
SCHEMBL10773383 0.80 ALDH1A1 (0.43) ALDH1A1TSHRHTT
SCHEMBL2179945 0.77 ALDH1A1 (0.38) ALDH1A1TSHRHTT
SCHEMBL29039008 0.77 ALDH1A1 (0.38) ALDH1A1TSHRHTT
SCHEMBL28648606 0.77 ALDH1A1 (0.38) ALDH1A1TSHRHTT
SCHEMBL30513348 0.72
SCHEMBL3256852 0.72
SCHEMBL15113883 0.71
Bicarbonate SCHEMBL10761844 0.70 TET2 (0.45) ALDH1A1TSHRHTT
SCHEMBL27776897 0.69 ALDH1A1 (0.36) ALDH1A1TSHRHTT
SCHEMBL8847968 0.68 TSHR (0.38) ALDH1A1TSHRHTT

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
US-7038043-B1 Glycosylated indolocarbazole synthesis YALE UNIVERSITY (US) 2006-05-02 US disclosed
WO-1997007081-A2 GLYCOSYLATED INDOLOCARBAZOLE SYNTHESIS YALE UNIVERSITY (US) 1997-02-27 WO disclosed