SCHEMBL17029077

SCHEMBL17029077

CC1(C)OB(c2cccc3c2N(c2ccccc2)c2ccccc2C=C3)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ JAK2 O60674 3/20 0.33
▸ BTK Q06187 3/20 0.33
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ P2RX1 P51575 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ P2RX4 Q99571 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30
▸ APBA1 Q02410 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
SCHEMBL17029070 0.86 LPL (0.34) LPLLIPGJAK2BTKGAA
SCHEMBL17029083 0.76 LIPG (0.44) LPLLIPG
SCHEMBL17029071 0.76 LIPG (0.44) LPLLIPG
SCHEMBL28365136 0.76 LPL (0.41) LPLLIPGJAK2BTKGAA
SCHEMBL26471958 0.71 LPL (0.38) LPLLIPGJAK2BTKALDH1A1
SCHEMBL17029076 0.69 MGLL (0.38) GAAMAPTMAPK1ATMRXFP1
SCHEMBL12320963 0.69 MGLL (0.46) GAAMAPTMAPK1ATMRXFP1
SCHEMBL20460103 0.68 PGR (0.35) LPLLIPGJAK2BTKGAA
SCHEMBL28365135 0.68 LIPG (0.59) LPLLIPG
SCHEMBL23262325 0.68 PGR (0.34) LPLLIPGJAK2BTKALDH1A1

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-2015126156-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
Send feedback