SCHEMBL8693276

SCHEMBL8693276

O=CC(Cc1ccc(F)cc1)Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
IDO1 P14902 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CPA1 P15085 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
AGXT P21549 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
CHRM2 P08172 1/20 0.36

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
SCHEMBL2268274 0.78 LOXL2 (0.43) TRPA1IDO1LOXL2CPA1TAAR1
SCHEMBL12809801 0.78 LOXL2 (0.43) TRPA1IDO1LOXL2CPA1TAAR1
SCHEMBL21439149 0.78 TP53 (0.61) TRPA1IDO1LOXL2CPA1TAAR1
SCHEMBL12226226 0.78 TRPA1 (0.46) TRPA1IDO1LOXL2CPA1LMNA
SCHEMBL754753 0.78 TRPA1 (0.41) TRPA1IDO1LOXL2CPA1TAAR1
SCHEMBL2269305 0.78 LOXL2 (0.43) TRPA1IDO1LOXL2CPA1TAAR1
SCHEMBL204959 0.78 TP53 (0.61) TRPA1IDO1LOXL2CPA1TAAR1
SCHEMBL10290771 0.78 TRPA1 (0.41) TRPA1IDO1LOXL2CPA1TAAR1
SCHEMBL4011260 0.78 TRPA1 (0.41) TRPA1IDO1LOXL2CPA1TAAR1
SCHEMBL21538889 0.77 TRPA1 (0.40) TRPA1IDO1LOXL2CPA1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560267-B1 Isosteric antiherpes peptide derivatives BOEHRINGER INGELHEIM CA LTD (CA) 1998-08-19 EP claimed
US-5574015-A Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-11-12 US claimed
JP-H08507760-A 1996-08-20 JP claimed
CN-1118601-A Inhibitors of herpes viral ribonucleotide reductase BIO MEGA BOEHRINGER INGELHEIM (CA) 1996-03-13 CN claimed
US-5476841-A Inhibitors of herpes viral ribonucleotide reductase BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1995-12-19 US claimed
CN-1096300-A Isosteric antiherpes peptide derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1994-12-14 CN claimed
EP-0618226-A1 Inhibitors of herpes viral ribonculeotide reductase BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-10-05 EP claimed
WO-1994020528-A1 INHIBITORS OF HERPES VIRAL RIBONUCLEOTIDE REDUCTASE BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-09-15 WO claimed
WO-1993018056-A1 ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO claimed
EP-0560267-A1 Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP claimed
US-5846941-A Isosteric antiherpes peptide derivatives II BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-12-08 US disclosed
EP-0560267-B1 Isosteric antiherpes peptide derivatives BOEHRINGER INGELHEIM CA LTD (CA) 1998-08-19 EP disclosed
US-5574015-A Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-11-12 US disclosed
CN-1118601-A Inhibitors of herpes viral ribonucleotide reductase BIO MEGA BOEHRINGER INGELHEIM (CA) 1996-03-13 CN disclosed
US-5476841-A Inhibitors of herpes viral ribonucleotide reductase BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1995-12-19 US disclosed
CN-1096300-A Isosteric antiherpes peptide derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1994-12-14 CN disclosed
EP-0618226-A1 Inhibitors of herpes viral ribonculeotide reductase BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-10-05 EP disclosed
WO-1994020528-A1 INHIBITORS OF HERPES VIRAL RIBONUCLEOTIDE REDUCTASE BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-09-15 WO disclosed