SCHEMBL29458149

SCHEMBL29458149

C=Cc1c(C)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.54
TSHR P16473 4/20 0.54
CYP1A2 P05177 4/20 0.54
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 4/20 0.41
ERN1 O75460 1/20 0.41
HPRT1 P00492 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL272576 1.00 CYP2A6 (0.54) CYP2A6TSHRCYP1A2GRIN2DGRIN3B
SCHEMBL29785159 0.98 CYP2A6 (0.52) CYP2A6TSHRCYP1A2GRIN2DGRIN3B
SCHEMBL8718876 0.90 HPRT1 (0.52) CYP2A6TSHRCYP1A2GRIN2DGRIN3B
SCHEMBL8012260 0.83 CYP2A6 (0.58) CYP2A6TSHRCYP1A2GRIN2DGRIN3B
SCHEMBL31236201 0.82 CYP1A2 (0.42) CYP2A6TSHRCYP1A2GRIN2DGRIN3B
SCHEMBL8714687 0.82 CYP1A2 (0.42) CYP2A6TSHRCYP1A2GRIN2DGRIN3B
SCHEMBL1706021 0.82 CYP1A2 (0.52) CYP2A6TSHRCYP1A2GRIN2DGRIN3B
SCHEMBL25464150 0.81 CYP2A6 (0.47) CYP2A6TSHRCYP1A2GRIN2DGRIN3B
SCHEMBL821212 0.81 TSHR (0.56) CYP2A6TSHRCYP1A2GRIN2DGRIN3B
SCHEMBL3046066 0.81 TSHR (0.52) CYP2A6TSHRCYP1A2GRIN2DGRIN3B

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-116323222-B Ink jet recording method 富士胶片株式会社 2025-05-02 CN disclosed
US-20220118753-A1 ON-PRESS DEVELOPMENT TYPE LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PREPARING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2022-04-21 US disclosed