SCHEMBL1900622

SCHEMBL1900622

C=COC(=O)c1ccccc1C1(C)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
RARB P10826 4/20 0.34
RARG P13631 4/20 0.34
RARA P10276 3/20 0.34
HDAC4 P56524 3/20 0.33
P2RX7 Q99572 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL29197935 0.79 CYP3A4 (0.50) ALDH1A1CYP3A4
SCHEMBL611939 0.78 P2RX7 (0.43) ALDH1A1KDM4EPTGDRPTGDR2MEN1
SCHEMBL10590809 0.75 NPC1 (0.44) ALDH1A1KDM4E
SCHEMBL29119960 0.75 ALDH1A1 (0.40) ALDH1A1PTGDRPTGDR2MEN1KMT2A
SCHEMBL29119923 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EPTGDRPTGDR2CYP3A4
SCHEMBL1899189 0.74 CYP3A4 (0.34) ALDH1A1KDM4ECYP3A4MEN1KMT2A
SCHEMBL15175 0.74 CYP3A4 (0.55) ALDH1A1KDM4ECYP3A4
SCHEMBL30620546 0.73 KDM4E (0.42) ALDH1A1KDM4EHDAC4AKR1C1
SCHEMBL29119948 0.73 ALDH1A1 (0.41) ALDH1A1PTGDRPTGDR2RARBRARG
Ethylene SCHEMBL29113890 0.72 CYP3A4 (0.53) ALDH1A1KDM4ECYP3A4

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-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed