Sugi Predict

Sugi Predict / Compounds / SCHEMBL27705686

SCHEMBL27705686

SCHEMBL27705686

CC(NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.59
▸ ABCB11 O95342 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.49
▸ POLB P06746 1/20 0.47

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
SCHEMBL10739004 1.00 ACE (0.59) ACEABCB11HDAC8POLB
SCHEMBL9545015 0.90 ACE (0.56) ACEABCB11HDAC8
SCHEMBL27726228 0.90 ACE (0.56) ACEABCB11HDAC8
SCHEMBL27726229 0.90 ACE (0.56) ACEABCB11HDAC8
SCHEMBL9545013 0.90 ACE (0.56) ACEABCB11HDAC8
SCHEMBL10752343 0.90 HDAC8 (0.50) ACEABCB11HDAC8
SCHEMBL27705655 0.90 HDAC8 (0.50) ACEABCB11HDAC8
SCHEMBL27726218 0.89 ACE (0.55) ACEABCB11HDAC8POLB
SCHEMBL27726215 0.89 ACE (0.55) ACEABCB11HDAC8POLB
SCHEMBL27726225 0.87 ACE (0.55) ACEABCB11HDAC8

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
CN-101200493-B (3S)-N-(L-aminoacyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, preparation method and uses thereof UNIV CAPITAL MEDICAL 2011-11-09 — — CN disclosed
CN-101200493-A (3S)-N-(L-aminoacyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, preparation method and uses thereof UNIV CAPITAL MEDICAL SCIENCES (CN) 2008-06-18 — — CN disclosed