SCHEMBL8185679

SCHEMBL8185679

CCCCCCC(C)Oc1ccc(C(=O)OCC)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL8185676 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EPOLBPRSS1
SCHEMBL8183559 0.86 ALDH1A1 (0.52) ALDH1A1TP53TSHRLNPEP
SCHEMBL8183563 0.86 ALDH1A1 (0.52) ALDH1A1TP53TSHRLNPEP
SCHEMBL8185682 0.82 HSD17B10 (0.57) ALDH1A1HSD17B10KDM4EPOLBNPC1
SCHEMBL8185554 0.81 MAPT (0.42) ALDH1A1POLBPRSS1PRSS2PRSS3
SCHEMBL8185556 0.81 MAPT (0.42) ALDH1A1POLBPRSS1PRSS2PRSS3
SCHEMBL7166071 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4EMAPTMEN1
SCHEMBL7166077 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4EMAPTMEN1
SCHEMBL8181558 0.78 RARB (0.46) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL8181554 0.78 RARB (0.46) ALDH1A1NPC1RAB9ALMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143208-A Optical element and compounds used in its manufacture ROLIC AG (CH) 2000-11-07 US disclosed
US-5335303-A Quasi-phased matched optical waveguide frequency conversion element having a ferroelectric liquid crystalline material exhibiting a periodic structure HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US disclosed