SCHEMBL1899189

SCHEMBL1899189

C=COC(=O)c1ccccc1C1(C)C2CC3CC(C2)CC1C3

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSD11B1 P28845 3/20 0.34
CNR2 P34972 4/20 0.33
FAAH O00519 2/20 0.33
CYP17A1 P05093 2/20 0.32
CYP19A1 P11511 2/20 0.32
P2RX7 Q99572 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL1903513 0.84 HSD11B1 (0.40) CYP3A4HSD11B1CNR2FAAHP2RX7
SCHEMBL1899854 0.80 KDM4E (0.39) CYP3A4ALDH1A1CNR2FAAHP2RX7
SCHEMBL1898567 0.75 CNR2 (0.35) CYP3A4LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL1900622 0.74 ALDH1A1 (0.36) CYP3A4ALDH1A1P2RX7KDM4EMEN1
SCHEMBL1902094 0.73 ALDH1A1 (0.40) LMNAALDH1A1HSD11B1CNR2FAAH
SCHEMBL15175 0.71 CYP3A4 (0.55) CYP3A4LMNAALDH1A1KDM4ETDP1
SCHEMBL29197935 0.69 CYP3A4 (0.50) CYP3A4LMNAALDH1A1TDP1
Ethylene SCHEMBL29113890 0.69 CYP3A4 (0.53) CYP3A4LMNAALDH1A1KDM4ETDP1
SCHEMBL1897668 0.68 CYP17A1 (0.42) CYP3A4LMNACYP2C9CYP2C19ALDH1A1
Acetic Acid SCHEMBL27451410 0.68 CYP3A4 (0.48) CYP3A4LMNACYP2C9ALDH1A1CYP1A2

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