SCHEMBL8909794

SCHEMBL8909794

CCOC(=O)c1c(C)c(=O)c(C)cn1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
F2RL3 Q96RI0 1/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
P2RX7 Q99572 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK1 P28482 2/20 0.45
TRPC5 Q9UL62 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL27677805 0.92 CRHBP (0.56) CRHBPCRHR2F2RL3ALDH1A1KDM4E
SCHEMBL15497048 0.80 F2RL3 (0.53) CRHBPCRHR2F2RL3ALDH1A1KDM4E
SCHEMBL15497072 0.79 F2RL3 (0.52) CRHBPCRHR2F2RL3ALDH1A1KDM4E
SCHEMBL4049880 0.78 CRHBP (0.82) CRHBPCRHR2F2RL3ALDH1A1KDM4E
SCHEMBL5671719 0.77 CRHBP (0.72) CRHBPCRHR2F2RL3ALDH1A1KDM4E
SCHEMBL2302918 0.77 CRHBP (0.62) CRHBPCRHR2F2RL3ALDH1A1KDM4E
SCHEMBL11308985 0.77 BRD4 (0.63) CRHBPCRHR2F2RL3ALDH1A1KDM4E
SCHEMBL4052334 0.76 CRHBP (0.61) CRHBPCRHR2F2RL3ALDH1A1KDM4E
SCHEMBL14125069 0.75 CRHBP (0.57) CRHBPCRHR2F2RL3ALDH1A1KDM4E
SCHEMBL7002598 0.75 CRHBP (0.53) CRHBPCRHR2F2RL3ALDH1A1KDM4E

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-5616713-A Process of preparing 2-hydroxymethyl-3,5-dimethyl-4-methoxypyridine DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 1997-04-01 US disclosed