SCHEMBL14836638

SCHEMBL14836638

COc1ccc(-c2cn(-c3cc(C(=O)O)nc(C(=O)O)c3)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.57
PTGS2 P35354 2/20 0.56
PTGS1 P23219 1/20 0.56
STIM1 Q13586 6/20 0.55
ORAI1 Q96D31 6/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 2/20 0.55
CA5A P35218 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
SNCA P37840 2/20 0.52
MCL1 Q07820 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.49
P2RY14 Q15391 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL14836243 0.92 STIM1 (0.57) CYP1B1PTGS2PTGS1STIM1ORAI1
SCHEMBL19182235 0.84 OGT (0.52) PTGS2PTGS1CA1CA2CA5A
SCHEMBL182731 0.82 STIM1 (0.66) CYP1B1PTGS2PTGS1STIM1ORAI1
SCHEMBL1430051 0.81 STIM1 (0.80) PTGS2PTGS1STIM1ORAI1CA1
SCHEMBL27903094 0.79 PTGS2 (0.76) CYP1B1PTGS2PTGS1STIM1ORAI1
SCHEMBL21044565 0.79 OGT (0.53) CYP1B1PTGS2PTGS1STIM1ORAI1
SCHEMBL12420365 0.78 PTGS2 (0.67) CYP1B1PTGS2PTGS1STIM1ORAI1
SCHEMBL29946178 0.78 STIM1 (0.71) CYP1B1PTGS2PTGS1STIM1ORAI1
SCHEMBL26628291 0.78 STIM1 (0.71) CYP1B1PTGS2PTGS1STIM1ORAI1
SCHEMBL2709542 0.77 STIM1 (0.69) CYP1B1PTGS2PTGS1STIM1ORAI1

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-2578581-A1 Novel complexes of rare earth and luminescent organic hybrid materials Université Blaise Pascal Clermont II (FR) 2013-04-10 EP disclosed