SCHEMBL2650562

SCHEMBL2650562

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

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.79
MAPT P10636 4/20 0.79
L3MBTL1 Q9Y468 3/20 0.79
CYP1A2 P05177 2/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2C9 P11712 1/20 0.79
CYP2C19 P33261 1/20 0.79
KDM4E B2RXH2 3/20 0.71
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 1/20 0.64
POLB P06746 2/20 0.63
GCGR P47871 10/20 0.48
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ADCYAP1R1 P41586 1/20 0.45

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
SCHEMBL2650257 0.88 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL7230367 0.86 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL7230369 0.80 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL29111421 0.78 ALDH1A1 (0.65) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL30501077 0.77 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL9164276 0.77 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL11337993 0.75 ALDH1A1 (0.77) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL9165998 0.74 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL7235710 0.72 GCGR (0.61) MAPTCYP1A2CYP3A4CYP2C19LMNA
SCHEMBL15307574 0.72 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4

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 3 patents. 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
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed