SCHEMBL6938515

SCHEMBL6938515

COC(=O)Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(=O)OC)c(Br)c2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.47
ALOX15 P16050 3/20 0.47
ALOX12 P18054 3/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP3A4 P08684 1/20 0.47
CASP1 P29466 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
RPS6KA3 P51812 1/20 0.41

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
SCHEMBL16688501 0.86 ALOX15 (0.47) HSD17B10ALOX15ALOX12HPGDTSHR
SCHEMBL12245506 0.86 ALOX15 (0.47) HSD17B10ALOX15ALOX12HPGDTSHR
SCHEMBL12960518 0.84 LMNA (0.36) HSD17B10ALOX15ALOX12HPGDTSHR
SCHEMBL6939287 0.81 HSD17B10 (0.50) HSD17B10ALOX15ALOX12HPGDTSHR
SCHEMBL27601386 0.81 HSD17B10 (0.52) HSD17B10ALOX15ALOX12HPGDTSHR
SCHEMBL25874933 0.80 RXRA (0.36) HSD17B10HPGDTSHRALDH1A1HIF1A
SCHEMBL10886229 0.80 HSD17B10 (0.42) HSD17B10ALOX15ALOX12HPGDTSHR
SCHEMBL10404848 0.80 HSD17B10 (0.48) HSD17B10ALOX15ALOX12HPGDTSHR
SCHEMBL14580012 0.79 HPGD (0.44) HSD17B10ALOX15ALOX12HPGDTSHR
SCHEMBL12245504 0.79 ALDH1A1 (0.41) HSD17B10ALOX15ALOX12HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed