SCHEMBL7368573

SCHEMBL7368573

O=C(Cl)C(CCOc1ccccc1)CCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
RECQL P46063 1/20 0.48
KCNA3 P22001 1/20 0.48
PARP10 Q53GL7 1/20 0.47
ALOX15 P16050 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL11209351 0.88 LTA4H (0.50) PPARGPPARATDP1RECQL
SCHEMBL7363754 0.85 PPARG (0.55) PPARGPPARAPKMTDP1ALDH1A1
SCHEMBL7862959 0.80 ALDH1A1 (0.52) PPARGPPARAPKMTDP1ALDH1A1
SCHEMBL7754950 0.79 TDP1 (0.54) PPARGPPARAPKMTDP1ALDH1A1
SCHEMBL1805351 0.79 TDP1 (0.57) PPARGPPARAPKMTDP1ALDH1A1
SCHEMBL5063036 0.78 PPARG (0.56) PPARGPPARAPKMTDP1ALDH1A1
SCHEMBL7428193 0.76 PARP10 (0.50) PPARGPPARAPKMTDP1ALDH1A1
SCHEMBL9243828 0.76 ALDH1A1 (0.50) PPARGPPARAPKMTDP1ALDH1A1
SCHEMBL7397270 0.76 PPARG (0.54) PPARGPPARAPKMTDP1ALDH1A1
SCHEMBL7397273 0.76 PPARG (0.54) PPARGPPARAPKMTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5907068-A TRIFLUOROMETHYLSUBSTITUTED COMPOUND INCLUDED IN PEPTIDES ZENECA INC. (US) 1999-05-25 US disclosed
US-5726158-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE USEFUL IN TREATING TISSUE DEGENERATIVE DISEASES; TRIFLUOROMETHYL KETONE SUBSTITUTED DI-, TRI-, AND TETRA-PEPTIDE DERIVATIVES ZENECA INC. (US) 1998-03-10 US disclosed
US-5414132-A Peptide intermediates ZENECA INC. (US) 1995-05-09 US disclosed
US-5194588-A Inhibitors of human leukocyte elastase, di-, tri- and tetra-peptides ICI AMERICAS INC. (US) 1993-03-16 US disclosed
EP-0189305-B1 PEPTIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-07-29 EP disclosed
US-5055450-A Di-, tri- and tetrapeptides as inhibitors of human leukocyte elastase ICI AMERICAS INC. (US) 1991-10-08 US disclosed
US-4910190-A Containing a nitrogen containing heterocycle ring structure ICI AMERICAS INC. (US) 1990-03-20 US disclosed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 EP disclosed