SCHEMBL7074330

SCHEMBL7074330

CCCCOC(=O)C(C)CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 5/20 0.44
HPGD P15428 2/20 0.44
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
HTR2C P28335 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL31164043 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL25688161 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL31164039 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL31164041 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL31164044 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL31164046 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL6818831 0.87 HCAR2 (0.38) ALDH1A1TSHRHCAR2LMNATDP1
SCHEMBL8082763 0.83 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL13541256 0.83 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL310458 0.83 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2

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
EP-3604457-B1 AQUEOUS INK COMPOSITION, INK SET, IMAGE FORMING METHOD, AND RESIN MICROPARTICLES FOR INK FUJIFILM CORP (JP) 2022-02-09 EP disclosed
EP-3604457-A1 AQUEOUS INK COMPOSITION, INK SET, IMAGE FORMING METHOD, AND RESIN FINE PARTICLES FOR INKS FUJIFILM Corporation (JP) 2020-02-05 EP disclosed
WO-2018098269-A2 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2018-05-31 WO disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
EP-1124903-B1 CATIONIC AZO-DYES BASF AG (DE) 2003-06-25 EP disclosed
US-6346609-B1 DISAZO DYES OR POLYAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-02-12 US disclosed
EP-1124903-A1 CATIONIC AZO-DYES BASF AKTIENGESELLSCHAFT (DE) 2001-08-22 EP disclosed
EP-0955342-B1 Cationic azo dyes derived from aminobenzoic acid BASF AG (DE) 2001-07-11 EP disclosed
WO-2000027929-A1 CATIONIC AZO-DYES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed
US-6048968-A CATIONIC AZO DYES BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US disclosed
EP-0955342-A1 Cationic azo dyes derived from aminobenzoic acid BASF AKTIENGESELLSCHAFT (DE) 1999-11-10 EP disclosed