SCHEMBL19901809

SCHEMBL19901809

COCCNc1ccc(Cc2ccc(NCC3CO3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.36
RORC P51449 1/20 0.36
MGLL Q99685 2/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
HSP90AB1 P08238 1/20 0.32
HTR1A P08908 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL7535852 0.84 LMNA (0.38) MGLLMEN1KMT2A
SCHEMBL28683669 0.77 CYP3A4 (0.47) MGLLMEN1KMT2A
SCHEMBL5556493 0.77 RORC (0.52) KCNH3RORCMAPTGAABCHE
SCHEMBL8981580 0.76 SMN1; SMN2 (0.42) KCNH3MAPTGAAHTR1AADRA1D
SCHEMBL19901829 0.74 LTA4H (0.33) MGLLMEN1KMT2A
SCHEMBL18615654 0.73 ALDH1A1 (0.36) GAAMEN1KMT2A
SCHEMBL11174017 0.72 KMT2A (0.33) MGLLGAAMEN1KMT2A
SCHEMBL9320157 0.72 ALDH1A1 (0.35) MGLLMAPTBCHEACHEMEN1
Water SCHEMBL44003 0.72 NPC1 (0.35)
SCHEMBL13766294 0.71 MAPT (0.47) KCNH3RORCMAPTGAAMEN1

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
US-9902803-B2 Epoxy compound having alkoxy silyl group, composition comprising same, cured product, use thereof and method for preparing epoxy compound having alkoxy silyl group KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2018-02-27 US disclosed