SCHEMBL28192253

SCHEMBL28192253

COCC(=O)N(c1cc(C)cc(C)c1)[C@@H](C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GRM5 P41594 1/20 0.36
TSPO P30536 4/20 0.35
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TPMT P51580 1/20 0.32
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL28192256 1.00 KMT2A (0.36) KMT2AMEN1GRM5TSPOTAS1R3
SCHEMBL28250496 1.00 KMT2A (0.36) KMT2AMEN1GRM5TSPOTAS1R3
SCHEMBL27997494 0.87 TAS1R3 (0.40) KMT2AMEN1GRM5TSPOTAS1R3
SCHEMBL28049223 0.87 TAS1R3 (0.40) KMT2AMEN1GRM5TSPOTAS1R3
SCHEMBL9507478 0.86 MEN1 (0.36) KMT2AMEN1GRM5SLC7A5
SCHEMBL9507474 0.86 MEN1 (0.36) KMT2AMEN1GRM5SLC7A5
SCHEMBL8891916 0.81 ALDH1A1 (0.49) KMT2AMEN1
SCHEMBL8891911 0.81 ALDH1A1 (0.49) KMT2AMEN1
SCHEMBL6051040 0.76 MEN1 (0.46) KMT2AMEN1
SCHEMBL5792664 0.76 MEN1 (0.46) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108689877-A A kind of bisamide class compound and the preparation method and application thereof containing chiral carbon 浙江工业大学 2018-10-23 CN claimed
CN-109310110-A Hydroxyl methionine analogs preparation suitable for Specialty Chemical application 诺华丝国际股份有限公司 2019-02-05 CN disclosed
CN-108689877-A A kind of bisamide class compound and the preparation method and application thereof containing chiral carbon 浙江工业大学 2018-10-23 CN disclosed
CN-107540484-A Urea and nitrogen stabiliser compositions 科氏农艺服务有限责任公司 2018-01-05 CN disclosed