SCHEMBL29099778

SCHEMBL29099778

CC=CCc1c(C)cc(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
HTR1D P28221 3/20 0.32
HTR1B P28222 2/20 0.32
NOS2 P35228 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
SLC11A2 P49281 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL25139120 0.82 RAPGEF4 (0.31) RAPGEF4HTR1DHTR1B
SCHEMBL14449472 0.81
SCHEMBL900740 0.80 HRH3 (0.38) HRH3ALDH1A1LMNAKDM4EGAA
SCHEMBL8405221 0.79 MAPT (0.36) HRH3MAPTCYP11B1CYP11B2RAPGEF4
SCHEMBL1610966 0.79 HRH3 (0.34) HRH3CYP11B1CYP11B2RAPGEF4HTR1D
SCHEMBL8405219 0.79 MAPT (0.36) HRH3MAPTCYP11B1CYP11B2RAPGEF4
SCHEMBL9222448 0.76 CYP2A6 (0.42) ALDH1A1LMNAMAPTHTR1DCYP1A2
SCHEMBL22296029 0.75 HRH3 (0.38) HRH3ALDH1A1LMNAKDM4EGAA
SCHEMBL9721884 0.73 ALDH1A1 (0.39) ALDH1A1CYP11B1CYP11B2NOS2TSHR
SCHEMBL327402 0.73 GAA (0.40) HRH3ALDH1A1KDM4EGAAMAPT

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
CN-116965585-A Tobacco leaf fermentation method based on biological fermentation enzyme 菀之源生物科技(深圳)有限公司 2023-10-31 CN disclosed