SCHEMBL24080677

SCHEMBL24080677

C=C1OC(=O)c2cc(C#Cc3ccc4c(c3)C(=O)OC4=O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.45
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL24080674 0.96 GRM5 (0.45) GRM5ALOX15TDP1ALDH1A1
SCHEMBL14357420 0.90 GRM5 (0.58) GRM5
SCHEMBL2640689 0.89 GRM5 (0.53) GRM5ALOX15TDP1ALDH1A1
SCHEMBL9611211 0.87 GRM5 (0.56) GRM5ALOX15TDP1ALDH1A1
SCHEMBL9885466 0.86 GRM5 (0.54) GRM5
SCHEMBL15218687 0.83 CYP1A1 (0.37) GRM5ALOX15TDP1ALDH1A1
SCHEMBL72823 0.81 GRM5 (0.66) GRM5ALOX15TDP1ALDH1A1
SCHEMBL12314488 0.81 ALOX15 (0.46) GRM5ALOX15TDP1ALDH1A1
SCHEMBL9885460 0.80 GRM5 (0.38) GRM5
SCHEMBL13907658 0.79 TDP1 (0.44) ALOX15TDP1ALDH1A1

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-3497492-B1 OPTICAL COMPENSATION FILM HAVING REVERSED WAVELENGTH DISPERSION AKRON POLYMER SYSTEMS INC (US) 2021-12-08 EP disclosed