SCHEMBL8519633

SCHEMBL8519633

CC(OC(=O)c1ccccc1)N(c1ccccc1)C(C)OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
TP53 P04637 2/20 0.52
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
LMNA P02545 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.46
F2 P00734 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL11687320 0.91 TSHR (0.44) TSHRTP53PDCD1CD274LMNA
SCHEMBL8587749 0.86 TSHR (0.46) TSHRTP53PDCD1CD274LMNA
SCHEMBL11680205 0.84 TSHR (0.50) TSHRTP53PDCD1CD274LMNA
SCHEMBL8472802 0.81 ALDH1A1 (0.43) TSHRTP53PDCD1CD274LMNA
SCHEMBL65543 0.81 TSHR (0.55) TSHRTP53PDCD1CD274LMNA
SCHEMBL11679482 0.81 LMNA (0.45) TSHRTP53PDCD1CD274LMNA
SCHEMBL8975083 0.80 TSHR (0.46) TSHRTP53PDCD1CD274LMNA
SCHEMBL28805216 0.80 TSHR (0.53) TSHRTP53PDCD1CD274LMNA
Benzoic Acid 1-Methylethyl Ester SCHEMBL31017505 0.79 PDCD1 (0.75) TSHRTP53PDCD1CD274LMNA
SCHEMBL11676196 0.79 L3MBTL1 (0.43) TSHRTP53PDCD1CD274LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671440-B1 Monoazo dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-07-28 EP disclosed
US-5608042-A DYEING POLYESTER ULTRAMICRO FIBERS DYSTAR JAPAN LTD. (JP) 1997-03-04 US disclosed
US-5527888-A USED FOR DYEING ULTRAMICRO POLYESTER FIBERS DYSTAR JAPAN LTD. (JP) 1996-06-18 US disclosed
EP-0671440-A2 Monoazo dyes DyStar Japan Ltd. (JP) 1995-09-13 EP disclosed