SCHEMBL23733918

SCHEMBL23733918

N[C@H]1CCCCCC2CC2CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL19597422 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATHRBCYP1A2
SCHEMBL22348939 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATHRB
SCHEMBL22872211 0.86 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATHRB
SCHEMBL22815553 0.86 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATHRB
SCHEMBL23221351 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATHRB
SCHEMBL23561000 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATHRB
SCHEMBL18900975 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATHRB
SCHEMBL23352964 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATHRB
SCHEMBL8840602 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATHRB
SCHEMBL13007137 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATHRB

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
US-11087077-B2 Techniques for extracting contextually structured data from document images SAS INSTITUTE INC. (US) 2021-08-10 US disclosed