SCHEMBL28021701

SCHEMBL28021701

COc1ccc(C=C(C)C(=O)OC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
F3 P13726 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
CYP2A6 P11509 1/20 0.46
GSK3B P49841 1/20 0.45
TUBB1 Q9H4B7 3/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44

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
SCHEMBL29172565 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDF3
SCHEMBL3896956 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDF3
SCHEMBL27796567 0.82 LMNA (0.42) ALDH1A1KDM4EMAPTCYP1A2NPSR1
SCHEMBL27789153 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDF3CYP3A4
SCHEMBL2443292 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDF3
SCHEMBL2443290 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDF3
SCHEMBL502731 0.81 THRB (0.51) ALDH1A1KDM4EMAPTHPGDF3
SCHEMBL502730 0.81 THRB (0.51) ALDH1A1KDM4EMAPTHPGDF3
SCHEMBL1237224 0.80 AKR1C3 (0.62) ALDH1A1KDM4EMAPTHPGDF3
SCHEMBL20500020 0.80 AKR1C3 (0.62) ALDH1A1KDM4EMAPTHPGDF3

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
CN-104726399-A Application of ethyl p-methoxycinnamate and derivatives thereof to maintaining self-renewal and pluripotency of stem cells UNIV NORTHEAST NORMAL 2015-06-24 CN claimed
CN-104726399-A Application of ethyl p-methoxycinnamate and derivatives thereof to maintaining self-renewal and pluripotency of stem cells UNIV NORTHEAST NORMAL 2015-06-24 CN disclosed