SCHEMBL21795014

SCHEMBL21795014

CC1(C)OB(c2cc(C#N)c3oc4ccccc4c3c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.37
LIPG Q9Y5X9 6/20 0.37
AHR P35869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
CSF1R P07333 1/20 0.34
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
PGR P06401 1/20 0.32
KCNH2 Q12809 1/20 0.31
TNKS O95271 1/20 0.31
EGFR P00533 1/20 0.31
ADORA2A P29274 1/20 0.30

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
SCHEMBL24352954 0.90 AHR (0.31) AHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL32667480 0.80 AHR (0.48) LPLLIPGAHRKMT2AMEN1
SCHEMBL18164685 0.78 LIPG (0.48) LPLLIPGAHRKMT2AMEN1
SCHEMBL26185544 0.77 LPL (0.46) LPLLIPGKDM4EALDH1A1ESR2
SCHEMBL21302800 0.76 ALOX5 (0.42) LPLLIPGKMT2AMEN1CYP2C19
SCHEMBL19038257 0.75 CSF1R (0.33) LPLLIPGKMT2AMEN1CYP2C19
SCHEMBL2037575 0.75 LPL (0.49) LPLLIPGAHRKDM4EALDH1A1
SCHEMBL18090358 0.74 LIPG (0.47) LPLLIPGCSF1RESR2ADORA2A
SCHEMBL18271468 0.74 LPL (0.46) LPLLIPGAHRKMT2AMEN1
SCHEMBL15326601 0.74 CSF1R (0.42) LPLLIPGAHRKDM4EKMT2A

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-2020045831-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-03-05 WO disclosed