SCHEMBL31028980

SCHEMBL31028980

CC1(C)C2CC(N)(C(=O)O)CC21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 8/20 0.54
▸ CYP1A2 P05177 4/20 0.54
▸ CYP2C19 P33261 3/20 0.54
▸ ALOX15 P16050 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ GRM8 O00222 2/20 0.54
▸ GRM6 O15303 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ GRM2 Q14416 4/20 0.42
▸ GRM3 Q14832 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ GRM1 Q13255 1/20 0.42
▸ PLCB1 Q9NQ66 1/20 0.42

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
SCHEMBL31028978 1.00 GRM4 (0.54) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL31370324 0.76 GRM4 (0.54) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL15257505 0.75 — —
SCHEMBL12744370 0.75 — —
SCHEMBL15057785 0.72 — —
SCHEMBL15060220 0.72 — —
SCHEMBL31028977 0.71 LMNA (0.36) ALDH1A1LMNA
SCHEMBL25492047 0.70 GRM4 (0.58) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL25492075 0.70 GRM4 (0.58) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL1063416 0.70 CYP1A2 (1.00) GRM4CYP1A2CYP2C19ALOX15ALDH1A1

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
EP-4628499-A1 POLYPEPTIDE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2025-10-08 — — EP disclosed
WO-2024114762-A1 POLYPEPTIDE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2024-06-06 — — WO disclosed
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