SCHEMBL7230369

SCHEMBL7230369

C=CCc1cc(C(=O)NN)cc(OC)c1OCc1ccc(C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GCGR P47871 13/20 0.52
ADCYAP1R1 P41586 2/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.42

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
SCHEMBL7235715 0.88 GCGR (0.60) ALDH1A1KDM4EMAPTGCGRADCYAP1R1
SCHEMBL7239341 0.84 ADCYAP1R1 (0.56) ALDH1A1KDM4EMAPTGCGRADCYAP1R1
SCHEMBL2650562 0.80 ALDH1A1 (0.79) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL7230367 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL7237622 0.74 ALDH1A1 (0.63) ALDH1A1KDM4EMAPT
SCHEMBL7230025 0.73 GCGR (0.51) ALDH1A1KDM4EMAPTL3MBTL1GCGR
SCHEMBL3227053 0.71 KDM4E (0.62) ALDH1A1KDM4EMAPTADCYAP1R1
SCHEMBL7228854 0.70 GCGR (0.56) ALDH1A1KDM4EMAPTCYP3A4CYP2C19
SCHEMBL2650257 0.69 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL17129585 0.69 MAPT (0.67) ALDH1A1KDM4EMAPTCYP1A2CYP3A4

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-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed