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Sugi Predict / Compounds / SCHEMBL10828331

SCHEMBL10828331

SCHEMBL10828331

CC(=O)Oc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ HSP90AA1 P07900 1/20 0.68
▸ HSP90AB1 P08238 1/20 0.68
▸ LTA4H P09960 1/20 0.68
▸ PLA2G2A P14555 1/20 0.68
▸ KDM4E B2RXH2 3/20 0.67
▸ BLM P54132 3/20 0.67
▸ HTR1A P08908 3/20 0.67
▸ LMNA P02545 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ TSHR P16473 2/20 0.67
▸ PMP22 Q01453 2/20 0.67
▸ HTR2A P28223 2/20 0.67
▸ HTR2C P28335 2/20 0.67
▸ HTR2B P41595 2/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ ADORA3 P0DMS8 1/20 0.67

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
SCHEMBL10828336 1.00 KMT2A (0.68) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
Water SCHEMBL10828288 0.99 KMT2A (0.67) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
Acetic Acid SCHEMBL10828584 0.99 KMT2A (0.67) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL31370073 0.90 KMT2A (0.68) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL1421284 0.89 HTR2B (0.70) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL18029115 0.89 HTR2B (0.70) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL122601 0.89 HTR2B (0.70) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL122600 0.89 HTR2B (0.70) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL2330863 0.89 HTR2B (0.70) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL10828593 0.88 HTR1D (0.57) KMT2AMEN1HSP90AA1HSP90AB1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4593107-A NEUROPSYCHIARTRY THERAPY LABORATOIRES MERCK-CLEVENOT, A CORP OF FRANCE (FR) 1986-06-03 — — US claimed
EP-0058111-B1 5-ACETYLOXY-L-TRYPTOPHANE AND ITS SALTS, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USES Laboratoires Merck-Clévenot (FR) 1985-10-23 — — EP claimed
EP-0058111-A1 5-Acetyloxy-L-tryptophane and its salts, process for their preparation and their therapeutical uses Laboratoires Merck-Clévenot (FR) 1982-08-18 — — EP claimed
US-4593107-A NEUROPSYCHIARTRY THERAPY LABORATOIRES MERCK-CLEVENOT, A CORP OF FRANCE (FR) 1986-06-03 — — US disclosed
US-4593107-A NEUROPSYCHIARTRY THERAPY LABORATOIRES MERCK-CLEVENOT, A CORP OF FRANCE (FR) 1986-06-03 — — US disclosed
US-4593107-A NEUROPSYCHIARTRY THERAPY LABORATOIRES MERCK-CLEVENOT, A CORP OF FRANCE (FR) 1986-06-03 — — US disclosed
EP-0058111-B1 5-ACETYLOXY-L-TRYPTOPHANE AND ITS SALTS, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USES Laboratoires Merck-Clévenot (FR) 1985-10-23 — — EP disclosed
EP-0058111-B1 5-ACETYLOXY-L-TRYPTOPHANE AND ITS SALTS, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USES Laboratoires Merck-Clévenot (FR) 1985-10-23 — — EP disclosed
EP-0058111-A1 5-Acetyloxy-L-tryptophane and its salts, process for their preparation and their therapeutical uses Laboratoires Merck-Clévenot (FR) 1982-08-18 — — EP disclosed
EP-0058111-A1 5-Acetyloxy-L-tryptophane and its salts, process for their preparation and their therapeutical uses Laboratoires Merck-Clévenot (FR) 1982-08-18 — — EP disclosed
EP-0058111-A1 5-Acetyloxy-L-tryptophane and its salts, process for their preparation and their therapeutical uses Laboratoires Merck-Clévenot (FR) 1982-08-18 — — EP disclosed