SCHEMBL10218930

SCHEMBL10218930

C=C(/C=C\c1ccccc1C)OC(C(=C)C)=C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGS2 P35354 1/20 0.32
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ GPR183 P32249 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 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
SCHEMBL12586086 0.78 KDM4E (0.40) RAB9ATSHRTP53CYP1A2CYP2D6
SCHEMBL13176644 0.74 NFE2L2 (0.41) RAB9ATSHRTP53CYP1A2CYP2D6
SCHEMBL2961735 0.71 TSHR (0.45) RAB9ATSHRTP53CYP1A2CYP2D6
SCHEMBL8349013 0.71 TSHR (0.45) RAB9ATSHRTP53CYP1A2CYP2D6
SCHEMBL12800400 0.71 MEN1 (0.39) RAB9ATSHRKDM4EALDH1A1LMNA
SCHEMBL8859640 0.68 ALDH1A1 (0.45) RAB9ATSHRTP53CYP1A2CYP2D6
SCHEMBL8349679 0.67 RAB9A (0.41) RAB9ATSHRTP53CYP1A2CYP2D6
SCHEMBL17682919 0.67 TSHR (0.43) RAB9ATSHRTP53CYP1A2CYP2D6
SCHEMBL13816225 0.67 TSHR (0.43) RAB9ATSHRTP53CYP1A2CYP2D6
SCHEMBL26539118 0.67 ALDH1A1 (0.43) RAB9ATSHRTP53CYP1A2CYP2D6

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
EP-2412766-A1 Ink composition, ink set, and image forming method Fujifilm Corporation (JP) 2012-02-01 — — EP disclosed
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