SCHEMBL5778110

SCHEMBL5778110

CC(=O)C(O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RCE1 Q9Y256 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.40
CNR1 P21554 1/20 0.40
HPGD P15428 1/20 0.39
OGG1 O15527 1/20 0.39
POLB P06746 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
SCHEMBL13299291 0.79 KEAP1 (0.44) ALOX5ALDH1A1CES2CES1SMN1; SMN2
SCHEMBL323295 0.79 LMNA (0.62) CYP1A2ALOX5CES2CES1SMN1; SMN2
SCHEMBL503470 0.79 LMNA (0.62) CYP1A2ALOX5CES2CES1SMN1; SMN2
SCHEMBL17377318 0.79 ESR1 (0.52) CYP1A2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL10932275 0.79 ESR1 (0.52) CYP1A2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL14464110 0.79 KEAP1 (0.44) ALOX5ALDH1A1CES2CES1SMN1; SMN2
SCHEMBL4146178 0.79 CYP1A2 (0.57) CYP1A2ALOX5CES2CES1SMN1; SMN2
SCHEMBL17377207 0.79 ESR1 (0.52) CYP1A2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL29903941 0.79 LMNA (0.62) CYP1A2ALOX5CES2CES1SMN1; SMN2
SCHEMBL10170603 0.79 LMNA (0.62) CYP1A2ALOX5CES2CES1SMN1; SMN2

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
EP-1397353-B1 2-(2,6-DISUBSTITUTED PHENYL)-4-ARYL-5-ALKYL-1,3-OXAZOLINE COMPOUNDS USEFUL AS INSECTICIDES AND ACARICIDES DOW AGROSCIENCES LLC (US) 2006-10-25 EP disclosed
EP-1397353-A1 2-(2,6-DISUBSTITUTED PHENYL)-4-ARYL-5-ALKYL-1,3-OXAZOLINE COMPOUNDS USEFUL AS INSECTICIDES AND ACARICIDES Dow Agrosciences LLC (US) 2004-03-17 EP disclosed
US-6573286-B1 Oxazoline compounds having a 2,6-disubstituted-phenyl group in the 2-position, an aryl or heteroaryl group in the 4-position and an alkyl group in the 5-position are effective in controlling aphids, insects and mites. DOW AGROSCIENCES LLC 2003-06-03 US disclosed
WO-2003000669-A1 2-(2,6-DISUBSTITUTED PHENYL)-4-ARYL-5-ALKYL-1,3-OXAZOLINE COMPOUNDS USEFUL AS INSECTICIDES AND ACARICIDES DOW AGROSCIENCES LLC (US) 2003-01-03 WO disclosed
US-5405860-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
US-4912122-A Triazolyl alkanones or triazolyl-alkanols BAYER AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed
US-4776877-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1988-10-11 US disclosed
US-4772623-A FUNGICIDES, MICROBIOCIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US disclosed
US-4582843-A FUNGICIDES, MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1986-04-15 US disclosed