SCHEMBL8457604

SCHEMBL8457604

CC(C)[C@H](C(=O)Cl)c1ccc(OC(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
GFER P55789 1/20 0.44
ADAM17 P78536 1/20 0.44
DRD1 P21728 1/20 0.41
PDE2A O00408 3/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
FFAR2 O15552 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ACACB O00763 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8457607 1.00 ALOX15 (0.44) ALOX15GFERADAM17DRD1PDE2A
SCHEMBL3424037 0.85 AKR1C3 (0.55) ALOX15GFERADAM17DRD1PDE2A
SCHEMBL8455312 0.85 AKR1C3 (0.55) ALOX15GFERADAM17DRD1PDE2A
SCHEMBL3681215 0.85 AKR1C3 (0.55) ALOX15GFERADAM17DRD1PDE2A
SCHEMBL11169235 0.84 PTGS1 (0.42) DRD1L3MBTL1KMT2AMEN1ATM
SCHEMBL11309843 0.83 L3MBTL1 (0.46) ALOX15GFERADAM17DRD1PDE2A
Hydrochloric Acid SCHEMBL11153465 0.83 AKR1C3 (0.54) ALOX15GFERADAM17DRD1PDE2A
SCHEMBL10707144 0.82 KMT2A (0.47) ALOX15GFERADAM17DRD1PDE2A
SCHEMBL10923719 0.81 AKR1C3 (0.54) L3MBTL1AKR1C3AKR1C2FFAR2KMT2A
SCHEMBL11452825 0.80 ALDH1A1 (0.44) PDE2AAKR1C3AKR1C2FFAR2ALDH1A1

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-5886207-A INSECTICIDES, MITICIDES SHANGHAI ZHONGXI PHARMACEUTICAL CO. LTD. (CN) 1999-03-23 US claimed
EP-0687670-A1 AN OPTICALLY ACTIVE COMPOUND OF FLUBROCYTHRINATE, A PROCESS FOR PREPARING THE SAME AND ITS USE Shanghai Zhongxi Pharmaceutical Co. Ltd. (CN) 1995-12-20 EP claimed
US-5886207-A INSECTICIDES, MITICIDES SHANGHAI ZHONGXI PHARMACEUTICAL CO. LTD. (CN) 1999-03-23 US disclosed
EP-0687670-A1 AN OPTICALLY ACTIVE COMPOUND OF FLUBROCYTHRINATE, A PROCESS FOR PREPARING THE SAME AND ITS USE Shanghai Zhongxi Pharmaceutical Co. Ltd. (CN) 1995-12-20 EP disclosed