SCHEMBL10443376

SCHEMBL10443376

CC(C)(C)OC(=O)CS(=O)(=O)c1ccc2c(c1)C(C[C]=O)CO2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
PHGDH O43175 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
FFAR1 O14842 3/20 0.32
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
HCRTR2 O43614 1/20 0.32
ABCB1 P08183 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RORC P51449 3/20 0.30
KMT2A Q03164 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
SCHEMBL7440588 0.74 SMN1; SMN2 (0.43) GAAALDH1A1
SCHEMBL10443950 0.65 HCRTR2 (0.48) FFAR1PPARGPPARDHCRTR2
SCHEMBL5908693 0.65 PLCG1 (0.47) PHGDHNPC1RAB9AALDH1A1POLB
SCHEMBL6932753 0.65 KMT2A (0.48) PHGDHNPC1RAB9AGAAALDH1A1
SCHEMBL10444288 0.65 HTR1A (0.45) HTR1AHTR1DHTR2CNPC1RAB9A
SCHEMBL10443342 0.65 FFAR1 (0.44) FFAR1PPARGPPARD
SCHEMBL25228160 0.64 GAA (0.39) PHGDHGAAALDH1A1POLBKMT2A
SCHEMBL6932007 0.64 HTT (0.53) GAAALDH1A1POLBNPSR1KMT2A
SCHEMBL3450703 0.63 HSD11B1 (0.42) PHGDHNPC1RAB9AGAAALDH1A1
SCHEMBL34466603 0.63 HSD11B1 (0.42) PHGDHNPC1RAB9AGAAALDH1A1

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-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 EP disclosed