SCHEMBL29401180

SCHEMBL29401180

C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CASP3 P42574 4/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ 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
▸ EPHX2 P34913 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ TNF P01375 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSK P43235 1/20 0.45

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
SCHEMBL20401006 1.00 CTSL (0.53) CTSLCTSSCASP3KMT2ACYP3A4
SCHEMBL30638167 1.00 CTSL (0.53) CTSLCTSSCASP3KMT2ACYP3A4
SCHEMBL13694941 1.00 CTSL (0.53) CTSLCTSSCASP3KMT2ACYP3A4
SCHEMBL13695275 1.00 CTSL (0.53) CTSLCTSSCASP3KMT2ACYP3A4
SCHEMBL18718110 0.90 CASP3 (0.50) CTSLCTSSCASP3KMT2ACYP3A4
SCHEMBL31000661 0.90 CASP3 (0.49) CTSLCTSSCASP3KMT2ACYP3A4
SCHEMBL25718153 0.88 CASP3 (0.52) CTSLCTSSCASP3KMT2ACYP3A4
SCHEMBL31000521 0.88 KMT2A (0.48) CASP3KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL31000700 0.88 KMT2A (0.48) CASP3KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL25718152 0.88 CASP3 (0.52) CTSLCTSSCASP3KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119925391-A Biological agent containing N-acetyl-D-glucosamine and preparation method thereof 辽宁泰阳医药科技开发有限公司 2025-05-06 — — CN claimed
CN-119925391-A Biological agent containing N-acetyl-D-glucosamine and preparation method thereof 辽宁泰阳医药科技开发有限公司 2025-05-06 — — CN disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 — — WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 — — US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
Send feedback