SCHEMBL15097630

SCHEMBL15097630

COSc1c(C(C)C)cc(C(C)C)c(C=O)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.35
ALB P02768 2/20 0.34
MCL1 Q07820 4/20 0.33
BCL2 P10415 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 2/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 2/20 0.33
MAPK1 P28482 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL15097514 0.79 AKR1B1 (0.33) AKR1B1
SCHEMBL15097709 0.75
SCHEMBL15097625 0.72
SCHEMBL15097623 0.71 AKR1B1 (0.33) AKR1B1
SCHEMBL15097631 0.71
SCHEMBL28471934 0.70 ALB (0.41) AKR1B1ALBMCL1BCL2KDM4E
SCHEMBL5478950 0.68 AKR1B1 (0.50) AKR1B1ALBMCL1BCL2KDM4E
SCHEMBL14839357 0.67 GABRA1 (0.42)
SCHEMBL12406493 0.67 FABP3 (0.53) AKR1B1ALBMCL1BCL2KDM4E
SCHEMBL7026756 0.66 ERN1 (0.47) AKR1B1ALDH1A1LMNAKMT2AHTT

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
US-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed