SCHEMBL10409308

SCHEMBL10409308

CCOC(C)OC(=O)OC(C)N(c1ccccc1)C(C)C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
JAK2 O60674 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 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
SCHEMBL28590655 0.81 L3MBTL1 (0.33) TP53ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL11671829 0.80 TDP1 (0.40) TP53ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL9639909 0.79 ALDH1A1 (0.36) TP53ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL8587749 0.77 TSHR (0.46) TP53ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL11649577 0.76 TSHR (0.54) ALDH1A1SMN1; SMN2KMT2ATSHRCTSL
SCHEMBL11652421 0.75 MGLL (0.43) ALDH1A1LMNANPSR1KMT2AGAA
SCHEMBL11124613 0.74 MAPT (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL10585519 0.71 KMT2A (0.41) ALDH1A1SMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL2323984 0.70 TSHR (0.37) TP53ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL10409312 0.70 HSD17B10 (0.39) TP53ALDH1A1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960874-A DYEING CELLULOSE ESTERS AND POLYESTERS BASF AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4764600-A Isothiazolylazo dyes having aminophenyl and aminonaphthyl components BASF AKTIENGESELLSCHAFT (DE) 1988-08-16 US disclosed
US-4496480-A Isothiazolazo dyes having coupling components which are free from unsaturated aliphatic radicals BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed