SCHEMBL16482714

SCHEMBL16482714

CC(C)(C)c1ccc2oc3c([nH]c4c5ccccc5c5ccccc5c43)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.44
▸ PON1 P27169 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ERCC5 P28715 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ KCNMA1 Q12791 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ PPARG P37231 3/20 0.32
▸ RXFP1 Q9HBX9 3/20 0.32
▸ NR2E3 Q9Y5X4 3/20 0.32
▸ NCOR2 Q9Y618 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16482459 0.82 KIF11 (0.56) KIF11PON1ALDH1A1MAPTKDM4E
SCHEMBL16482705 0.81 KIF11 (0.46) KIF11PON1ALDH1A1MAPTTDP1
SCHEMBL16482739 0.80 ERCC5 (0.47) ALDH1A1MAPTKDM4EHTTERCC5
SCHEMBL16482671 0.78 PLA2G2A (0.44) ALDH1A1MAPTKDM4EERCC5FEN1
SCHEMBL14476670 0.74 ALDH1A1 (0.42) KIF11PON1ALDH1A1MAPTPGR
SCHEMBL16589078 0.74 KIF11 (0.41) KIF11PON1ALDH1A1MAPTKDM4E
SCHEMBL21377185 0.72 KIF11 (0.58) KIF11PON1PLK4CHEK1AURKA
SCHEMBL12060916 0.72 MAPT (0.53) KIF11PON1ALDH1A1MAPTKDM4E
SCHEMBL16218411 0.72 PON1 (0.42) KIF11PON1ALDH1A1MAPTKDM4E
SCHEMBL26195782 0.72 KIF11 (0.42) KIF11PON1ALDH1A1MAPTKDM4E

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
WO-2014058183-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS OF SAID ORGANIC ELECTRONIC DEVICE 덕산하이메탈(주) (KR) 2014-04-17 — — WO disclosed
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