SCHEMBL8734971

SCHEMBL8734971

CCCCc1ccc(Cl)c(O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
CTRC Q99895 1/20 0.43
ALOX5 P09917 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ELANE P08246 2/20 0.38
CTSG P08311 2/20 0.38
PTGS2 P35354 1/20 0.38
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
CFTR P13569 4/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL6229740 0.86 TYR (0.49) TYRCTRCALOX5KMT2AMEN1
SCHEMBL21400113 0.82 CTRC (0.47) TYRCTRCALOX5KMT2AMEN1
SCHEMBL70495 0.81 TYR (0.56) TYRCTRCALOX5KMT2AMEN1
SCHEMBL9073055 0.80 CTRC (0.46) TYRCTRCALOX5KMT2AMEN1
SCHEMBL9410519 0.79 GABRA1 (0.44) CTRCCYP3A4TSHRHPGDCASP1
SCHEMBL6019201 0.78 AKR1C2 (0.48) TYRCTRCAKR1C2AKR1C1
SCHEMBL27628607 0.78 CTRC (0.41) TYRCTRCALOX5KMT2AMEN1
SCHEMBL574233 0.77 ALOX5 (0.53) TYRALOX5ELANECTSGPTGS2
SCHEMBL982811 0.77 TYR (0.59) TYRCTRCALOX5KMT2AMEN1
Propionaldehyde SCHEMBL27905731 0.77 CTRC (0.44) TYRCTRCALOX5KMT2AMEN1

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-0683628-B1 ANTI-PARASITIC DISINFECTANT MENNO CHEMIE VERTRIEB GMBH (DE) 1998-05-20 EP disclosed
EP-0683628-A1 ANTI-PARASITIC DISINFECTANT MENNO-CHEMIE-VERTRIEB GMBH (DE) 1995-11-29 EP disclosed
WO-1994017661-A1 ANTI-PARASITIC DISINFECTANT MENNO-CHEMIE-VERTRIEB GMBH (DE) 1994-08-18 WO disclosed