SCHEMBL19952963

SCHEMBL19952963

CC1(C)C=C(c2ccc(F)cc2)C(c2ccc(C3CCCCCCCS3)cc2)=C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALOX5 P09917 1/20 0.30
RECQL P46063 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
SCHEMBL17847704 0.76 ATM (0.39)
SCHEMBL5668728 0.66 PTGS1 (0.41) PTGS1PTGS2ALOX5
SCHEMBL10767082 0.66 BRD4 (0.41)
SCHEMBL7236903 0.66 MAPK13 (0.62) ALOX5RECQL
SCHEMBL28207617 0.65 SLC18A3 (0.37)
SCHEMBL6613526 0.65 ESR2 (0.39)
SCHEMBL6610340 0.64 MAOA (0.57) PTGS1PTGS2
SCHEMBL9340634 0.64 BRD4 (0.42) RECQL
SCHEMBL9358742 0.63 MAPT (0.44)
SCHEMBL26640860 0.63 MAPT (0.44)

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
WO-2018049008-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2018-03-15 WO disclosed
WO-2018049015-A1 COMBINATION THERAPIES USING IMMUNO-DASH INHIBITORS AND PD-1 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE (US) 2018-03-15 WO disclosed