SCHEMBL8472802

SCHEMBL8472802

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 4/20 0.38
MTNR1A P48039 1/20 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
SCHEMBL11677801 0.90 MTNR1A (0.45) ALDH1A1CYP3A4LMNATP53NPSR1
SCHEMBL11591720 0.90 ALDH1A1 (0.39) ALDH1A1CYP3A4HDAC3HDAC4HDAC1
SCHEMBL11698494 0.87 TDP1 (0.42) ALDH1A1CYP3A4SMN1; SMN2NPSR1MTNR1A
SCHEMBL9639909 0.85 ALDH1A1 (0.36) ALDH1A1CYP3A4HDAC3HDAC4HDAC1
SCHEMBL10798826 0.85 LMNA (0.37) ALDH1A1CYP3A4LMNATP53SMN1; SMN2
SCHEMBL8942078 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4LMNATP53SMN1; SMN2
SCHEMBL8519633 0.81 TSHR (0.52) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL10531957 0.81 LMNA (0.45) ALDH1A1LMNATP53NPSR1HSD17B10
SCHEMBL8942110 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4LMNATP53SMN1; SMN2
SCHEMBL9193289 0.78 RAB9A (0.59) ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63210172-A None JP disclosed
US-5910624-A DYEING HYDROPHOBIC FIBERS; COLORFASTNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1999-06-08 US disclosed
US-5782934-A Process of dyeing with disazo dyes containing a fluorosulphonyl group and use thereof ZENECA LIMITED (GB) 1998-07-21 US disclosed
EP-0443984-B1 Phthalimidylazo dyestuffs CIBA GEIGY AG (CH) 1995-01-18 EP disclosed
US-5218095-A Disperse dye for dyeing synthetic hydrophobic textiles CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
EP-0443984-A1 Phthalimidylazo dyestuffs CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed
JP-S63210172-A MONOAZO BENZOTHIAZOLE COMPOUND HAVING CRYSTALLINE STRUCTURE, PRODUCTION THEREOF AND METHOD OF DYEING HYDROPHOBIC FIBROUS MATERIAL BY USING THE SAME SUMITOMO CHEM CO LTD 1988-08-31 JP disclosed