SCHEMBL7300866

SCHEMBL7300866

[CH2]c1ccccc1C(CC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
CYP1A2 P05177 2/20 0.57
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 3/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
CPA1 P15085 2/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
CPB2 Q96IY4 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
GABBR2 O75899 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
SCHEMBL297996 0.79 PPARG (0.39) TSHRCYP1A2KDM4EMEN1KMT2A
SCHEMBL372276 0.78 CYP1A2 (0.57) TSHRCYP1A2KDM4EMEN1KMT2A
SCHEMBL25816145 0.78 CYP1A2 (0.57) TSHRCYP1A2KDM4EMEN1KMT2A
SCHEMBL2456546 0.78 MEN1 (0.58) TSHRCYP1A2KDM4EMEN1KMT2A
SCHEMBL10525325 0.78 CYP1A2 (0.57) TSHRCYP1A2KDM4EMEN1KMT2A
SCHEMBL10692703 0.78 CYP1A2 (0.57) TSHRCYP1A2KDM4EMEN1KMT2A
SCHEMBL20563859 0.76 CYP1A2 (0.55) TSHRCYP1A2KDM4EMEN1KMT2A
SCHEMBL28306686 0.75 CYP1A2 (0.54) TSHRCYP1A2KDM4EMEN1KMT2A
SCHEMBL6387359 0.75 POLB (0.55) TSHRCYP1A2KDM4EMEN1KMT2A
SCHEMBL6743921 0.75 CYP2C9 (0.59) TSHRCYP1A2KDM4EMEN1KMT2A

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-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed