SCHEMBL6933807

SCHEMBL6933807

O=C(O)[C@@H]1CC(O)CN1C(=O)CO

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
ACE P12821 3/20 0.41
MME P08473 1/20 0.40
VHL P40337 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.33
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1991504 1.00 ATM (0.61) ATMACEMMEVHLMEN1
SCHEMBL6933806 1.00 ATM (0.61) ATMACEMMEVHLMEN1
SCHEMBL1334793 0.83 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL4255907 0.83 ATM (0.65) ATMACEMMEVHLMEN1
SCHEMBL1335205 0.83 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL1334597 0.83 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL1334796 0.83 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL1334899 0.83 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL1334691 0.83 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL1334690 0.83 ATM (0.59) ATMACEMMEVHLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1239204-C Conjugates for the treatment of prostate cancer MERCK & CO INC (US) 2006-02-01 CN disclosed
EP-1009420-B1 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO INC (US) 2003-12-17 EP disclosed
EP-0942754-B1 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO INC (US) 2003-05-07 EP disclosed
EP-0942754-A2 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER Merck & Co., Inc. (US) 1999-09-22 EP disclosed
US-5948750-A OLIGOPEPTIDES, HAVING AMINO ACID SEQUENCES THAT ARE SELECTIVELY PROTEOLYTICALLY CLEAVED BY FREE PROSTATE SPECIFIC ANTIGEN (PSA) AND KNOWN CYTOTOXIC AGENTS ARE DISCLOSED. SUCH CONJUGATES ARE USEFUL IN THE TREATMENT OF PROSTATIC CANCER AND MERCK & CO., INC. (US) 1999-09-07 US disclosed
WO-1998018493-A2 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 1998-05-07 WO disclosed