SCHEMBL30711162

SCHEMBL30711162

CC(C)(C)OC(=O)Cn1nc(C[C@H](N)C(=O)O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SLC7A5 Q01650 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.38
▸ ALPI P09923 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ XIAP P98170 1/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL19410138 1.00 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4ELMNAKMT2A
SCHEMBL19410139 1.00 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4ELMNAKMT2A
SCHEMBL19410197 0.84 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4ELMNAKMT2A
SCHEMBL30711161 0.81 SLC16A3 (0.48) SLC16A3ALDH1A1KDM4ELMNAKMT2A
SCHEMBL19410121 0.78 SLC16A3 (0.48) SLC16A3ALDH1A1KDM4ELMNAKMT2A
SCHEMBL30711155 0.78 SLC16A3 (0.48) SLC16A3ALDH1A1KDM4ELMNAKMT2A
SCHEMBL19410123 0.78 SLC16A3 (0.48) SLC16A3ALDH1A1KDM4ELMNAKMT2A
SCHEMBL16099677 0.77 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL7434865 0.77 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL30002479 0.77 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997698-B Immunomodulatory agents acting as PD-1 antagonists 百时美施贵宝公司 2023-12-26 — — CN disclosed
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