SCHEMBL7274496

SCHEMBL7274496

C/C(N)=C/C(=O)OCCCCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
PSMD10 O75832 1/20 0.39
STAT3 P40763 2/20 0.38
FKBP1A P62942 2/20 0.36
CYP24A1 Q07973 1/20 0.36
KMT2A Q03164 1/20 0.36
DHODH Q02127 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TBXA2R P21731 1/20 0.34

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
SCHEMBL7274499 1.00 ALDH1A1 (0.41) ALDH1A1PSMD10STAT3FKBP1ACYP24A1
SCHEMBL29316353 0.83 TSHR (0.51) ALDH1A1PSMD10STAT3FKBP1ACYP24A1
SCHEMBL1933322 0.82 TSHR (0.49) ALDH1A1PSMD10STAT3FKBP1ACYP24A1
SCHEMBL13740848 0.81 PSMD10 (0.44) ALDH1A1PSMD10STAT3FKBP1ACYP24A1
SCHEMBL9709447 0.80 ALDH1A1 (0.51) ALDH1A1PSMD10STAT3KMT2APOLB
SCHEMBL4812770 0.79 ALDH1A1 (0.48) ALDH1A1PSMD10STAT3CYP24A1CA12
SCHEMBL4951882 0.79 ALDH1A1 (0.48) ALDH1A1PSMD10STAT3CYP24A1CA12
SCHEMBL11050599 0.79 ALDH1A1 (0.48) ALDH1A1PSMD10STAT3CYP24A1CA12
SCHEMBL4815560 0.79 ALDH1A1 (0.48) ALDH1A1PSMD10STAT3CYP24A1CA12
SCHEMBL8484861 0.79 ALDH1A1 (0.48) ALDH1A1PSMD10STAT3CYP24A1CA12

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-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP disclosed