SCHEMBL26857915

SCHEMBL26857915

COc1ccc(Cc2ccccc2)cc1CS

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
LTA4H P09960 2/20 0.50
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2090122 0.88 CA2 (0.57) CA2LTA4HGAAALDH1A1
SCHEMBL11289342 0.85 CA2 (0.53) CA2LTA4HGAAALDH1A1
SCHEMBL11831661 0.82 IDO1 (0.48) CA2GAAALDH1A1
SCHEMBL83495 0.80 CA2 (0.80) CA2LTA4HGAAALDH1A1
Ammonia Solution, Strong SCHEMBL4861530 0.79 CA2 (0.77) CA2LTA4HGAAALDH1A1
SCHEMBL9450898 0.77 CA2 (0.57) CA2LTA4HGAAALDH1A1
SCHEMBL22712813 0.77 LTA4H (0.46) LTA4H
SCHEMBL31527836 0.76 TUBB1 (0.68) CA2LTA4HGAA
SCHEMBL27182693 0.76 TUBB1 (0.68) CA2LTA4HGAA
SCHEMBL3894418 0.76 MAPT (0.62) CA2LTA4HGAAALDH1A1

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-3148959-B1 INTEGRATED METHODS FOR CHEMICAL SYNTHESIS NOVOMER INC (US) 2023-11-22 EP disclosed