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Sugi Predict / Compounds / SCHEMBL28680586

SCHEMBL28680586

SCHEMBL28680586

C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C(O)=C[C@]3(C)[C@H]1CC2

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 3/20 0.74
▸ NR1I3 Q14994 1/20 0.45
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ GRIN1 Q05586 7/20 0.42
▸ GRIN2B Q13224 7/20 0.42
▸ CYP19A1 P11511 3/20 0.42
▸ SHBG P04278 1/20 0.37

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
SCHEMBL6477188 1.00 MBOAT4 (0.74) MBOAT4NR1I3CDK5CDK5R1GRIN1
SCHEMBL28689586 1.00 MBOAT4 (0.74) MBOAT4NR1I3CDK5CDK5R1GRIN1
SCHEMBL8898527 0.86 MBOAT4 (0.76) MBOAT4NR1I3CDK5CDK5R1GRIN1
SCHEMBL21176009 0.85 MBOAT4 (1.00) MBOAT4NR1I3CDK5CDK5R1GRIN1
SCHEMBL21176043 0.82 MBOAT4 (1.00) MBOAT4NR1I3CDK5CDK5R1GRIN1
SCHEMBL21822078 0.80 CYP19A1 (0.53) MBOAT4CYP19A1SHBG
SCHEMBL11362674 0.79 MBOAT4 (0.65) MBOAT4NR1I3CDK5CDK5R1GRIN1
SCHEMBL11362671 0.79 MBOAT4 (0.65) MBOAT4NR1I3CDK5CDK5R1GRIN1
SCHEMBL9574629 0.79 MBOAT4 (0.62) MBOAT4NR1I3CDK5CDK5R1GRIN1
SCHEMBL4942917 0.79 MBOAT4 (0.47) MBOAT4GRIN1GRIN2BCYP19A1SHBG

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-113164576-A Chimeric Antigen Receptor (CAR) groups 圣安娜儿童癌症研究中心 2021-07-23 — — CN disclosed