SCHEMBL8748536

SCHEMBL8748536

COc1cc(N)c(Cc2ccc(C)o2)c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TUBB4A P04350 4/20 0.38
TUBB P07437 4/20 0.38
TUBA3C P0DPH7 4/20 0.38
TUBA1B P68363 4/20 0.38
TUBA4A P68366 4/20 0.38
TUBB4B P68371 4/20 0.38
TUBB3 Q13509 4/20 0.38
TUBB2A Q13885 4/20 0.38
TUBB8 Q3ZCM7 4/20 0.38
TUBA3E Q6PEY2 4/20 0.38
TUBA1A Q71U36 4/20 0.38

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
SCHEMBL20871931 0.77 TUBB4A (0.47) ALDH1A1MAPTHTTTDP1TUBB4A
SCHEMBL8864476 0.71 PTGS2 (0.50) POLBMAPTTUBB4ATUBBTUBA3C
SCHEMBL8465680 0.69 ACHE (0.50) ALDH1A1POLBMAPTTUBB4ATUBB
SCHEMBL20871233 0.68 CA2 (0.61) ALDH1A1POLBMAPTHSD17B10MAPK1
SCHEMBL9348570 0.68 CYP3A4 (0.37) POLBMAPTTUBB4ATUBBTUBA3C
SCHEMBL8635317 0.68 PDGFRB (0.42) ALDH1A1POLBTUBB4ATUBBTUBA3C
SCHEMBL8748534 0.68 MAPK1 (0.51) ALDH1A1MAPTHTTTDP1TUBB4A
SCHEMBL20871721 0.67 AKR1B1 (0.44) ALDH1A1POLBMAPTTUBB4ATUBB
SCHEMBL903315 0.66 CHRM2 (0.58) ALDH1A1POLBMAPTTHRBHTT
SCHEMBL20871930 0.65 CALM1 (0.55) ALDH1A1TDP1MAPK1TSHRGAA

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
EP-0761214-A2 N,N-disubstituted anilines or alkylamines as singlet oxygen quenchers, topical compositions comprising them KAO CORPORATION (JP) 1997-03-12 EP disclosed