SCHEMBL6568148

SCHEMBL6568148

C=Cc1ccc(CCC(O)N(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
THRB P10828 3/20 0.32
HDAC8 Q9BY41 1/20 0.31
MMP13 P45452 1/20 0.31
TSHR P16473 1/20 0.31
STAT3 P40763 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ADRB2 P07550 1/20 0.30
THRA P10827 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL2638242 0.79 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TDP1THRB
SCHEMBL10642266 0.78 TAAR1 (0.52) KDM4E
SCHEMBL5034577 0.77 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TDP1THRB
SCHEMBL7815415 0.77 TAAR1 (0.48) KDM4ETDP1TSHR
SCHEMBL188351 0.74 KDM4E (0.32) KDM4E
SCHEMBL4270544 0.74 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TDP1MMP13
SCHEMBL28390815 0.74 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TDP1HDAC8
SCHEMBL1647493 0.73 ALDH1A1 (0.65) ALDH1A1TAS1R3TAS1R1TDP1THRB
SCHEMBL50012 0.73 ALDH1A1 (0.65) ALDH1A1TAS1R3TAS1R1TDP1THRB
SCHEMBL213342 0.73 HRH3 (0.59) ALDH1A1HRH3

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-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed