SCHEMBL31546599

SCHEMBL31546599

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
CASP3 P42574 4/20 0.50
KMT2A Q03164 1/20 0.49
PIN1 Q13526 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL14019298 1.00 POLB (0.51) POLBCASP3KMT2APIN1CYP3A4
SCHEMBL1486287 0.90 CASP3 (0.52) CASP3KMT2APIN1CYP3A4CYP2D6
SCHEMBL30896048 0.90 CASP3 (0.52) CASP3KMT2APIN1CYP3A4CYP2D6
SCHEMBL30896049 0.90 CASP3 (0.52) CASP3KMT2APIN1CYP3A4CYP2D6
SCHEMBL118209 0.90 CASP3 (0.52) CASP3KMT2APIN1CYP3A4CYP2D6
SCHEMBL1486214 0.90 CASP3 (0.52) CASP3KMT2APIN1CYP3A4CYP2D6
SCHEMBL1564185 0.90 CASP3 (0.52) CASP3KMT2APIN1CYP3A4CYP2D6
SCHEMBL6038102 0.90 CASP3 (0.52) CASP3KMT2APIN1CYP3A4CYP2D6
SCHEMBL119497 0.90 CASP3 (0.52) CASP3KMT2APIN1CYP3A4CYP2D6
SCHEMBL29398684 0.90 CASP3 (0.52) CASP3KMT2APIN1CYP3A4CYP2D6

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-119899137-A Method for preparing Fmoc-Ile-OH by chemical derivatization 杭州湃肽生化科技有限公司 2025-04-29 CN claimed
CN-119899137-A Method for preparing Fmoc-Ile-OH by chemical derivatization 杭州湃肽生化科技有限公司 2025-04-29 CN disclosed