SCHEMBL28245189

SCHEMBL28245189

CCN(CCC(C)C)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CNR2 P34972 10/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ CNR1 P21554 5/20 0.40
▸ ALDH3A1 P30838 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL13138874 0.89 CYP2C19 (0.40) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL28229954 0.84 ESRRG (0.43) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL6884063 0.83 ESRRG (0.47) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL2417791 0.82 TSHR (0.52) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL3116214 0.79 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL5930732 0.79 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL20013904 0.79 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL6657111 0.79 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL13996971 0.79 NPSR1 (0.45) ALDH1A1TSHRCYP3A4GFERCYP2C19
SCHEMBL43704 0.79 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1PSMD14CYP3A4

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-105579242-B Thermosensitive recording body 日本制纸株式会社 2019-02-01 — — CN disclosed
CN-105579241-B Thermosensitive recording medium 王子控股株式会社 2018-10-16 — — CN disclosed
Send feedback