SCHEMBL7212160

SCHEMBL7212160

CCCC(Br)CCCOc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
KCNA3 P22001 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
HTR1B P28222 2/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
ESR1 P03372 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 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
SCHEMBL3791089 0.93 LTA4H (0.59) LTA4HKCNA3TDP1ALOX5PPARG
SCHEMBL9145902 0.90 LTA4H (0.57) LTA4HKCNA3TDP1ALOX5PPARG
SCHEMBL31474674 0.90 LTA4H (0.57) LTA4HKCNA3TDP1ALOX5PPARG
SCHEMBL1127990 0.87 KCNA3 (0.54) LTA4HKCNA3TDP1ALOX5PPARG
SCHEMBL6302467 0.83 ALOX5 (0.59) LTA4HALOX5PPARGPPARAHRH3
SCHEMBL28594432 0.80 CHRNA7 (0.52) LTA4HTDP1ALOX5PPARGPPARA
SCHEMBL29173237 0.79 KCNA3 (0.58) LTA4HKCNA3TDP1HTR1BDRD2
SCHEMBL18174179 0.79 KCNA3 (0.62) LTA4HKCNA3TDP1HTR1BDRD2
SCHEMBL15178102 0.79 TDP1 (0.55) LTA4HKCNA3TDP1ALOX5PPARG
SCHEMBL27696496 0.78 LSS (0.53) LTA4HTDP1ALOX5PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610877-B1 Treating photo and/or age damaged skin HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
EP-0641759-B1 Use of aromatic carboxylic derivatives for the preparation of drugs HOFFMANN LA ROCHE (CH) 1998-12-09 EP disclosed
US-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US disclosed
EP-0641759-A1 Aromatic carboxylic acid derivatives, their preparation and drugs containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP disclosed
US-5279762-A High speed switching MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
EP-0220296-B1 SMECTIC LIQUID CRYSTALLINE PHASES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 EP disclosed
US-5064566-A Chirally tilted, pyrimidines, pyridines, or pyrazines, stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-12 US disclosed
EP-0220296-A1 SMECTIC LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-05-06 EP disclosed
WO-1986006401-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed