SCHEMBL25911751

SCHEMBL25911751

CCCn1cc(C(=O)OCC)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
CYP1A2 P05177 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
HPGD P15428 3/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 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
SCHEMBL1493352 0.89 L3MBTL1 (0.51) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL4759383 0.88 L3MBTL1 (0.50) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL25141302 0.88 L3MBTL1 (0.50) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL12804233 0.88 L3MBTL1 (0.50) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL3383513 0.87 ALDH1A1 (0.49) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL2823114 0.86 L3MBTL1 (0.49) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL20139154 0.86 L3MBTL1 (0.49) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL7820903 0.85 L3MBTL1 (0.46) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL10615235 0.85 L3MBTL1 (0.46) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL2827826 0.85 L3MBTL1 (0.48) L3MBTL1CYP1A2LMNACYP3A4MAOA

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
WO-2023146809-A9 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-14 WO disclosed
WO-2023146809-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-03 WO disclosed