SCHEMBL28049223

SCHEMBL28049223

COCC(=O)N(c1cc(C)cc(C)c1)C(C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
GRM5 P41594 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
TSPO P30536 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP7 P55210 1/20 0.33
NLRP3 Q96P20 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL27997494 1.00 TAS1R3 (0.40) TAS1R3TAS1R1GRM5SMN1; SMN2KMT2A
SCHEMBL11520993 0.87 MEN1 (0.43) TAS1R3TAS1R1GRM5SMN1; SMN2KMT2A
SCHEMBL28192253 0.87 KMT2A (0.36) TAS1R3TAS1R1GRM5KMT2AMEN1
SCHEMBL28250496 0.87 KMT2A (0.36) TAS1R3TAS1R1GRM5KMT2AMEN1
SCHEMBL28192256 0.87 KMT2A (0.36) TAS1R3TAS1R1GRM5KMT2AMEN1
SCHEMBL8622030 0.81 ALDH1A1 (0.46) SMN1; SMN2KMT2AMEN1PLA2G1BHTT
SCHEMBL8622032 0.81 ALDH1A1 (0.46) SMN1; SMN2KMT2AMEN1PLA2G1BHTT
SCHEMBL27941414 0.80 TSPO (0.47) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11517301 0.78 MEN1 (0.41) SMN1; SMN2KMT2AMEN1PLA2G1BHTT
SCHEMBL11518264 0.78 NPSR1 (0.41) GRM5SMN1; SMN2KMT2AMEN1PLA2G1B

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
CN-105143195-A Furfural derivatives as a vehicle RHODIA OPERATIONS 2015-12-09 CN disclosed