SCHEMBL9688036

SCHEMBL9688036

C=CC=C(C(=O)OC=C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
AKR1C1 Q04828 1/20 0.39
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
F2 P00734 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 3/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NFE2L2 Q16236 1/20 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
SCHEMBL28869390 0.84 AKT1 (0.44) AKT1AKR1C1LMNAF2ALDH1A1
SCHEMBL4012690 0.82 TSHR (0.47) AKT1AKR1C1LMNAALDH1A1HPGD
SCHEMBL4012685 0.82 TSHR (0.47) AKT1AKR1C1LMNAALDH1A1HPGD
SCHEMBL10534387 0.81 AKR1C1 (0.59) AKR1C1LMNAPOLBALDH1A1HPGD
SCHEMBL9312079 0.81 AKR1C1 (0.59) AKR1C1LMNAPOLBALDH1A1HPGD
SCHEMBL9312077 0.81 AKR1C1 (0.59) AKR1C1LMNAPOLBALDH1A1HPGD
SCHEMBL3786208 0.79 AKR1C1 (0.55) AKT1AKR1C1LMNAPOLBALDH1A1
SCHEMBL5348309 0.79 AKR1C1 (0.55) AKT1AKR1C1LMNAPOLBALDH1A1
SCHEMBL28399917 0.77 AKT1 (0.54) AKT1LMNAPOLBF2ALDH1A1
Acetic Acid SCHEMBL27997355 0.77 AKR1C1 (0.54) AKR1C1LMNAPOLBALDH1A1HPGD

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-5153068-A Discoloration inhibition SEKISUI FINE CHEMICAL CO., LTD. (JP) 1992-10-06 US claimed