SCHEMBL1848010

SCHEMBL1848010

Cc1ccc(CC(N)CC(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
RIPK1 Q13546 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
DPP4 P27487 2/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL28318850 0.79 SLC7A5 (0.47) DAOPOLBKMT2ATDP1THRB
SCHEMBL8306982 0.79 SLC7A5 (0.47) DAOPOLBKMT2ATDP1THRB
SCHEMBL2921395 0.74 PRSS1 (0.47) DAOPOLBKMT2ATDP1PRMT6
SCHEMBL1520622 0.72 ALOX5 (0.46) DAOPOLBKMT2ATDP1TP53
SCHEMBL5262305 0.72 PRMT6 (0.47) PRMT6TP53THRB
SCHEMBL1260565 0.72 KMT2A (0.50) DAOPOLBKMT2ATDP1PRMT6
SCHEMBL6636274 0.72 PRMT6 (0.47) PRMT6TP53THRB
SCHEMBL2027702 0.71 CYP2C19 (0.61) DAOPOLBTDP1HPGDDPP4
SCHEMBL975049 0.71 DPP4 (0.56) KMT2AS1PR2S1PR1ALDH1A1HPGD
SCHEMBL2027703 0.71 CYP2C19 (0.61) DAOPOLBTDP1HPGDDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320738-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TransTech Pharma, Inc. (US) 2011-05-18 EP disclosed