SCHEMBL5678587

SCHEMBL5678587

CCCC(=O)Nc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
TP53 P04637 1/20 0.57
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
LTA4H P09960 5/20 0.54
SLC7A5 Q01650 2/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL21689987 0.89 ENPP2 (0.59) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL22690037 0.88 HIF1A (0.57) MAPTALDH1A1LTA4HSLC7A5SLC1A3
SCHEMBL22690034 0.88 HIF1A (0.57) MAPTALDH1A1LTA4HSLC7A5SLC1A3
SCHEMBL21083181 0.88 MAPT (0.57) MAPTALDH1A1HPGDLTA4HSLC7A5
SCHEMBL7468706 0.87 POLB (0.64) MAPTLTA4HSLC7A5CA12CA1
SCHEMBL30519915 0.86 TP53 (0.54) MAPTALDH1A1HPGDTP53HDAC3
SCHEMBL22689704 0.85 LTA4H (0.54) MAPTALDH1A1LTA4HSLC7A5SLC1A3
SCHEMBL22689706 0.85 LTA4H (0.54) MAPTALDH1A1LTA4HSLC7A5SLC1A3
SCHEMBL12835191 0.85 LTA4H (0.54) MAPTALDH1A1LTA4HSLC7A5SLC1A3
SCHEMBL22689711 0.85 LTA4H (0.54) MAPTALDH1A1LTA4HSLC7A5SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116606297-B Synthesis method and application of tail phenylalanine porphyrin derivatives 井冈山大学 2024-11-26 CN disclosed
CN-116606297-A Synthesis method and application of tail phenylalanine porphyrin derivatives 井冈山大学 2023-08-18 CN disclosed
EP-1625193-A1 BORATE ESTER LUBRICANT ADDITIVES Ciba SC Holding AG (CH) 2006-02-15 EP disclosed
WO-2004104146-A1 BORATE ESTER LUBRICANT ADDITIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-12-02 WO disclosed