SCHEMBL3078749

SCHEMBL3078749

Cc1ccc(N[C@@H](C)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MMP8 P22894 1/20 0.50
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NMT1 P30419 1/20 0.43
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KIF11 P52732 1/20 0.41
TGM2 P21980 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7436999 1.00 CA12 (0.50) CA12CA1MMP8MAPTTDP1
SCHEMBL29173167 1.00 CA12 (0.50) CA12CA1MMP8MAPTTDP1
SCHEMBL30644158 0.88 PKM (0.57) CA12CA1MAPTPOLBALDH1A1
SCHEMBL1355021 0.84 SLC7A5 (0.53) MAPTTDP1SMN1; SMN2PTGS2ALDH1A1
SCHEMBL7089012 0.83 CA12 (0.47) CA12CA1MAPTTDP1HPGD
SCHEMBL16057214 0.83 CA12 (0.47) CA12CA1MAPTTDP1HPGD
SCHEMBL7028109 0.83 CA12 (0.47) CA12CA1MAPTTDP1HPGD
SCHEMBL33927 0.83 TDP1 (0.56) CA12MAPTTDP1POLBHPGD
SCHEMBL1331551 0.83 TDP1 (0.56) CA12MAPTTDP1POLBHPGD
SCHEMBL33928 0.83 TDP1 (0.56) CA12MAPTTDP1POLBHPGD

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4154960-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US claimed
CN-115920000-B Modulators of complement activity RA制药公司 2025-04-25 CN disclosed
CN-119823223-A Apelin peptide energy macrocycle and application thereof SOCPRA健康与人文科学有限公司 2025-04-15 CN disclosed
CN-113396218-B Engineered transaminase polypeptides 科德克希思公司 2025-02-18 CN disclosed
CN-118829646-A Apelin peptide energy macrocycle and application thereof SOCPRA健康与人文科学有限公司 2024-10-22 CN disclosed
CN-118812647-A Novel insect short neuropeptide sNPF analogue and application thereof 四川轻化工大学 2024-10-22 CN disclosed
CN-117624307-A Process for preparing cyclic organic compounds 中外制药株式会社 2024-03-01 CN disclosed
EP-4136102-A1 LONG ACTING PEPTIDE TYROSINE TYROSINE (PYY) ANALOGS AND METHODS OF USE I2O Therapeutics, Inc. (US) 2023-02-22 EP disclosed
WO-2021212023-A1 LONG ACTING PEPTIDE TYROSINE TYROSINE (PYY) ANALOGS AND METHODS OF USE INTARCIA THERAPEUTICS, INC. (US) 2021-10-21 WO disclosed
US-9809706-B2 Racemic drug resolution using polymer supported chiral selector COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-11-07 US disclosed
US-5721213-A Peptides, active as inhibitors of platelet aggregation NIPPON STEEL CORPORATION (JP) 1998-02-24 US disclosed
EP-0796270-A2 PEPTIDE COMPOUNDS FOR PREVENTION AND/OR TREATMENT OF NO-MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-24 EP disclosed
EP-0721468-A1 NOVEL PEPTIDE, ACTIVE AS INHIBITORS OF PLATELET AGGREGATION NIPPON STEEL CORPORATION (JP) 1996-07-17 EP disclosed
US-5494672-A HAVING SEQUENCE CORRESPONDING TO C-TERMINAL PORTION OF THE PSEUDOMONAS AERUGINOSA PILIN PROTEIN; VACCINE S.P.I. SYNTHETIC PEPTIDES INCORPORATED (CA) 1996-02-27 US disclosed
WO-1995009185-A1 NOVEL PEPTIDE, ACTIVE AS INHIBITORS OF PLATELET AGGREGATION NIPPON STEEL CORPORATION (JP) 1995-04-06 WO disclosed
US-5401783-A Adhesion-promoting agents incorporating polyvalent cations AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1995-03-28 US disclosed
US-5270351-A Adhesion-promoting agents incorporating polyvalent cations AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1993-12-14 US disclosed
EP-0567470-A1 PSEUDOMONAS PEPTIDE COMPOSITION AND METHOD FOR PRODUCING THE SAME S.P.I. SYNTHETIC PEPTIDES INCORPORATED (CA) 1993-11-03 EP disclosed
WO-1992012169-A1 PSEUDOMONAS PEPTIDE COMPOSITION AND METHOD FOR PRODUCING THE SAME S.P.I. SYNTHETIC PEPTIDES INCORPORATED (CA) 1992-07-23 WO disclosed
EP-0331404-A2 Method for producing tropane alkaloid SEITAIKINOU RIYOU KAGAKUHIN SHINSEIZOUGIJUTSU KENKYU KUMIAI (JP) 1989-09-06 EP disclosed