SCHEMBL8029779

SCHEMBL8029779

CCCCCCCCCCOC(=O)[C@@H](N)CS

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
NOD1 Q9Y239 2/20 0.47
TSHR P16473 3/20 0.46
HTR2C P28335 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 3/20 0.42

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
SCHEMBL112513 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL110651 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL112512 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL5220076 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL109917 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL5366842 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL112307 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL110652 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL114444 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL114445 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C

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
US-6143275-A BIFUNCTIONAL CHELATING AGENTS WITH INTERMITTENT CHALCOGEN ATOMS FOR USE IN RADIODIAGNOSTICS AND RADIOTHERAPY INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2000-11-07 US disclosed
US-5961954-A Chealators of type XN1 S1 X1 for radioactive isotopes, their metal complexes and their diagnostic and therapeutical uses INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 1999-10-05 US disclosed
US-4279900-A ANTIINFLAMMATORY INTREX RESEARCH CORPORATION (US) 1981-07-21 US disclosed
US-4268441-A Prodrugs for improved bioavailability of certain Δ4 -3-ketosteroidal sex hormones INTERX RESEARCH CORPORATION (US) 1981-05-19 US disclosed
US-4239757-A Thiazolidine prodrugs for the improved delivery of anti-inflammatory corticosteroids INTERX RESEARCH CORPORATION (US) 1980-12-16 US disclosed
US-4213978-A Anti-acne and anti-seborrhea prodrug derivatives of progesterone INTERX RESEARCH CORPORATION (US) 1980-07-22 US disclosed