SCHEMBL28474196

SCHEMBL28474196

CCC(C)(C)NC(=O)c1c(Cl)cccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PBRM1 Q86U86 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SLC16A3 O15427 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MT-CO2 P00403 1/20 0.40
TTR P02766 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL29643347 1.00 L3MBTL1 (0.49) L3MBTL1NPSR1PBRM1TSHRKMT2A
SCHEMBL27705148 0.86 PBRM1 (0.43) PBRM1TSHRKMT2AALDH1A1SLC16A3
SCHEMBL28471968 0.85 ALDH1A1 (0.49) PBRM1TSHRKMT2AALDH1A1SLC16A3
SCHEMBL551671 0.85 PBRM1 (0.42) PBRM1TSHRKMT2AALDH1A1SLC16A3
SCHEMBL8714282 0.81 TAS1R3 (0.57) L3MBTL1NPSR1TSHRKMT2ATAS1R3
SCHEMBL18408979 0.80 L3MBTL1 (0.58) L3MBTL1NPSR1ALDH1A1LMNAHPGD
SCHEMBL13590979 0.79 NPSR1 (0.64) L3MBTL1NPSR1KMT2AALDH1A1MEN1
SCHEMBL14036519 0.78 L3MBTL1 (0.50) L3MBTL1NPSR1TSHRKMT2AALDH1A1
SCHEMBL550826 0.77 NPSR1 (0.52) L3MBTL1NPSR1KMT2AALDH1A1HPGD
SCHEMBL551672 0.74 PBRM1 (0.42) L3MBTL1NPSR1PBRM1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808058-B Fluorescent probe for screening drugs acting on ryanodine receptor 天津大学 2022-05-17 CN disclosed
CN-111808058-A Fluorescent probe for screening drugs acting on ryanodine receptor 天津大学 2020-10-23 CN disclosed