SCHEMBL6169210

SCHEMBL6169210

CCOC(=O)c1nnnn1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.37
PDE4D Q08499 1/20 0.37
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9881652 0.81 MAPK1 (0.45) MAPK1TP53ALOX12CYP1A2TSHR
SCHEMBL6580348 0.80 MAPK1 (0.47) MAPK1TP53ALOX12CYP1A2TSHR
SCHEMBL9920433 0.80 MAPK1 (0.44) MAPK1TP53ALOX12CYP1A2TSHR
SCHEMBL22402939 0.79 MAPK1 (0.42) MAPK1TP53ALOX12CYP1A2TSHR
SCHEMBL23990683 0.77 MAPK1 (0.41) MAPK1TP53ALOX12CYP1A2ALDH1A1
SCHEMBL24597135 0.77 MAPK1 (0.41) MAPK1TP53ALOX12CYP1A2TSHR
SCHEMBL11776322 0.76 MAPK1 (0.51) MAPK1TP53ALOX12TSHRALDH1A1
SCHEMBL11778347 0.76 MAPK1 (0.69) MAPK1TSHRALDH1A1LMNAKMT2A
SCHEMBL16198632 0.74 MAPK1 (0.45) MAPK1TP53ALOX12ALDH1A1LMNA
SCHEMBL18839755 0.73 MAPK1 (0.44) MAPK1TP53ALOX12CYP1A2TSHR

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
EP-0964861-B1 PROCESS FOR THE PRODUCTION OF TETRAZOLYLBENZOPYRANS SMITHKLINE BEECHAM PLC (GB) 2005-04-27 EP disclosed
US-6069257-A Process for the production of tetrazolylbenzopyrans SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-30 US disclosed