SCHEMBL5294872

SCHEMBL5294872

O=C(Cl)c1cc(Br)cc(C(=O)Cl)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
AKR1C4 P17516 1/20 0.41
ALOX15 P16050 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CES2 O00748 2/20 0.38
GALR3 O60755 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PLAU P00749 1/20 0.34
GPR35 Q9HC97 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL7682107 0.88 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1AKR1C4ALOX15
SCHEMBL28272928 0.86 ALDH1A1 (0.39) AKR1C3AKR1C2AKR1C1AKR1C4ALOX15
SCHEMBL16098143 0.82 ALDH1A1 (0.43) AKR1C3AKR1C2AKR1C1AKR1C4ALOX15
SCHEMBL11760933 0.77 AKR1C4 (0.67) AKR1C3AKR1C2AKR1C1AKR1C4CYP1A2
SCHEMBL28166753 0.77 AKR1C4 (0.45) AKR1C3AKR1C2AKR1C1AKR1C4ALOX15
SCHEMBL6437956 0.76 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C1AKR1C4ALOX15
SCHEMBL11813056 0.75 EIF2AK2 (0.39) AKR1C3AKR1C2AKR1C1AKR1C4ALOX15
SCHEMBL31173096 0.75 HPGD (0.50) ALOX15CYP1A2CYP2C9CES2GALR3
SCHEMBL24665431 0.75 AKR1C3 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4ALOX15
SCHEMBL11624384 0.75 AKR1C4 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015896-A1 Dihydroxy aramid polymers E. I. DU PONT DE NEMOURS AND COMPANY 2007-01-18 US disclosed
WO-2007008889-A2 DIHYDROXY ARAMID POLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-18 WO disclosed
EP-0113252-B1 PROCESS FOR PRODUCING BLOCK COPOLYAMIDE TORAY INDUSTRIES, INC. (JP) 1991-08-07 EP disclosed
US-4507465-A IMPACT STRENGTH TORAY INDUSTRIES, INC. (JP) 1985-03-26 US disclosed