SCHEMBL11099455

SCHEMBL11099455

O=P(Br)(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
FDPS P14324 1/20 0.36
CYP1B1 Q16678 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL11126584 0.78 MMP8 (0.42) AHRTP53MAPK1TDP1ALDH1A1
SCHEMBL11604324 0.76 HPGD (0.46) AHRTP53MAPK1TDP1ALDH1A1
SCHEMBL1775211 0.76 MMP8 (0.46) AHRTP53MAPK1TDP1ALDH1A1
SCHEMBL11099508 0.70 ALDH1A1 (0.39) TDP1ALDH1A1TSHRMEN1NPC1
SCHEMBL10931270 0.67 HSD17B10 (0.42) AHRTP53MAPK1TDP1ALDH1A1
SCHEMBL11777105 0.66 FDPS (0.44) ALDH1A1MMP8MMP14CA14TSHR
SCHEMBL11100457 0.62 TPMT (0.35) MMP8MMP1MMP2
SCHEMBL11795326 0.62 LMNA (0.44) MAPK1ALDH1A1MMP8MMP14CA14
SCHEMBL14337806 0.62 HPGD (0.59) TDP1ALDH1A1MMP8TSHRCYP3A4
Phosphoric Acid SCHEMBL28200084 0.60 TP53 (0.64) TP53TDP1ALDH1A1MMP8MMP14

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-0019401-B1 PROCESS FOR PREPARING ENAMINE DERIVATIVES, COMPOUNDS SO PRODUCED AND PROCESS FOR PREPARING A 3-HYDROXY-CEPHALOSPORIN Lilly Industries Limited (GB) 1984-03-21 EP disclosed
US-4301280-A Preparation of 3-substituted cephalosporins LILLY INDUSTRIES LIMITED (GB) 1981-11-17 US disclosed
EP-0019401-A1 Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin Lilly Industries Limited (GB) 1980-11-26 EP disclosed