SCHEMBL28060952

SCHEMBL28060952

c1ccc(CCCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.57
P2RX7 Q99572 6/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
EPHX1 P07099 1/20 0.49
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL3241417 0.89 EPHX2 (0.60) EPHX2P2RX7NPC1RAB9AEPHX1
SCHEMBL13538261 0.80 TAAR1 (0.45) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1939181 0.78 GRIN2D (0.48) EPHX2P2RX7NPC1RAB9AEPHX1
SCHEMBL19524619 0.77 P2RX7 (0.49) EPHX2P2RX7GRIN2DGRIN3BGRIN1
SCHEMBL354182 0.76 MEN1 (0.56) EPHX2P2RX7MEN1KMT2AALDH1A1
SCHEMBL19524662 0.76 TAAR1 (0.44) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19524664 0.76 EPHX2 (0.47) EPHX2P2RX7GRIN2DGRIN3BGRIN1
SCHEMBL1759196 0.76 MEN1 (0.52) EPHX2P2RX7NPC1RAB9AEPHX1
SCHEMBL5609891 0.75 NPC1 (0.49) EPHX2P2RX7NPC1RAB9AEPHX1
SCHEMBL4715282 0.74 EPHX2 (0.64) EPHX2P2RX7MEN1KMT2AALDH1A1

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
CN-103477463-B Organic illuminating element, organometallic complex, light-emitting device, electronic equipment and illuminator 株式会社半导体能源研究所 2016-08-10 CN disclosed