SCHEMBL8450288

SCHEMBL8450288

CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 2/20 0.38
ALOX5 P09917 2/20 0.38
PTGS1 P23219 1/20 0.37
MEN1 O00255 2/20 0.36
CYP2D6 P10635 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.33
ACACB O00763 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ACACA Q13085 2/20 0.32
POLB P06746 2/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9194100 1.00 ALDH1A1 (0.41) ALDH1A1TDP1NPSR1ALOX5PTGS1
SCHEMBL8455303 1.00 ALDH1A1 (0.41) ALDH1A1TDP1NPSR1ALOX5PTGS1
SCHEMBL1684995 1.00 ALDH1A1 (0.41) ALDH1A1TDP1NPSR1ALOX5PTGS1
SCHEMBL8577780 1.00 ALDH1A1 (0.41) ALDH1A1TDP1NPSR1ALOX5PTGS1
Flucythrinate SCHEMBL3514253 0.93 ALDH1A1 (0.47) ALDH1A1TDP1ALOX5PTGS1MEN1
Flucythrinate SCHEMBL30014944 0.93 ALDH1A1 (0.47) ALDH1A1TDP1ALOX5PTGS1MEN1
Flucythrinate SCHEMBL54722 0.93 ALDH1A1 (0.47) ALDH1A1TDP1ALOX5PTGS1MEN1
Flucythrinate SCHEMBL29484439 0.93 ALDH1A1 (0.47) ALDH1A1TDP1ALOX5PTGS1MEN1
Flucythrinate SCHEMBL682196 0.93 ALDH1A1 (0.47) ALDH1A1TDP1ALOX5PTGS1MEN1
Flucythrinate SCHEMBL10617509 0.93 ALDH1A1 (0.47) ALDH1A1TDP1ALOX5PTGS1MEN1

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
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