SCHEMBL18849500

SCHEMBL18849500

NC(CC(N)C1CCCCC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
TP53 P04637 1/20 0.44
DPP4 P27487 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SHBG P04278 1/20 0.42
ALDH1A1 P00352 1/20 0.35
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 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
SCHEMBL13995102 0.85 EPHX1 (0.41) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL20281759 0.85 TP53 (0.48) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL13995101 0.85 EPHX1 (0.41) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL2781157 0.82 EPHX1 (0.48) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL172567 0.81 ALDH1A1 (0.39) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL13995117 0.81 ALDH1A1 (0.39) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL8070691 0.80 EPHX1 (0.59) EPHX1TP53DPP4KDM4EGMNN
Cyclohexane SCHEMBL2492289 0.80 EPHX1 (0.59) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL21656667 0.80 EPHX1 (0.59) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL672135 0.80 EPHX1 (0.59) EPHX1TP53DPP4KDM4EGMNN

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-2017078403-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-05-11 WO disclosed