SCHEMBL1898567

SCHEMBL1898567

C=COC(=O)c1ccccc1C12CC3CC(CC(C3)C1C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.35
FAAH O00519 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.34
P2RX7 Q99572 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1899854 0.81 KDM4E (0.39) CNR2FAAHALDH1A1CYP3A4KDM4E
SCHEMBL1899189 0.75 CYP3A4 (0.34) CNR2FAAHALDH1A1LMNACYP3A4
SCHEMBL1902094 0.72 ALDH1A1 (0.40) CNR2FAAHALDH1A1LMNAKDM4E
SCHEMBL1903513 0.72 HSD11B1 (0.40) CNR2FAAHCYP3A4P2RX7MEN1
SCHEMBL1900622 0.68 ALDH1A1 (0.36) ALDH1A1CYP3A4KDM4EP2RX7MEN1
SCHEMBL15175 0.67 CYP3A4 (0.55) ALDH1A1LMNACYP3A4KDM4ETSHR
SCHEMBL29197935 0.66 CYP3A4 (0.50) ALDH1A1LMNACYP3A4TSHRHSD17B10
SCHEMBL8394721 0.66 HDAC11 (0.44) CNR2FAAHALDH1A1LMNAKDM4E
SCHEMBL8396530 0.66 RARB (0.41) ALDH1A1LMNACYP3A4KDM4EMEN1
SCHEMBL1898745 0.66 CYP2C9 (0.37) ALDH1A1LMNACYP3A4CYP1A2CYP2C9

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