SCHEMBL29401177

SCHEMBL29401177

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 1/20 0.43
▸ CTRB1 P17538 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ PSMB9 P28065 4/20 0.42
▸ REN P00797 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSK P43235 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
SCHEMBL29456966 0.92 STAT3 (0.42) CTRB1KMT2APSMB9RENALDH1A1
SCHEMBL15006480 0.90 REN (0.44) KMT2APSMB9RENALDH1A1GAA
SCHEMBL24322559 0.86 CTRB1 (0.58) CTRB1KMT2AALDH1A1TSHRCTSL
SCHEMBL29521538 0.84 F2 (0.51) CTRB1KMT2AALDH1A1TSHRF2
SCHEMBL24414109 0.84 KMT2A (0.48) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL31113349 0.82 ACE (0.47) PTPN1
SCHEMBL31113348 0.82 PSMB9 (0.46) KMT2APSMB9F2
SCHEMBL29413336 0.82 CTRB1 (0.49) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL30317756 0.82 CTRB1 (0.49) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL8902510 0.82 CTRB1 (0.49) CTRB1KMT2AALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
CN-117447336-A Non-classical solid phase synthesis carrier and preparation method and application thereof 瑞博(杭州)医药科技有限公司 2024-01-26 — — CN disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US 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
CN-112094324-B Synthesis method of carbetocin 宁波三生生物科技股份有限公司 2022-05-03 — — CN disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
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