SCHEMBL8680251

SCHEMBL8680251

CC1(C)C(C=C(Br)Br)C1(Cc1cccc(Oc2ccccc2)c1)C(=O)OC#N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
ATM Q13315 2/20 0.41
LMNA P02545 1/20 0.41
ADRA2A P08913 1/20 0.41
CNR1 P21554 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 10/20 0.35
P2RX3 P56373 2/20 0.35
PTGES O14684 1/20 0.35
FAAH O00519 1/20 0.35
GNA15 P30679 1/20 0.34
PTGER3 P43115 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL5397496 0.91 TDP1 (0.48) TDP1ATMLMNAADRA2ACNR1
SCHEMBL28314023 0.87 TDP1 (0.43) TDP1ATMLMNAADRA2ACNR1
SCHEMBL11592061 0.87 TDP1 (0.46) TDP1ATMLMNAADRA2ACNR1
SCHEMBL10829249 0.87 TDP1 (0.46) TDP1ATMLMNAADRA2ACNR1
SCHEMBL8304055 0.87 TDP1 (0.46) TDP1ATMLMNAADRA2ACNR1
SCHEMBL10940398 0.80 TDP1 (0.41) TDP1ATMLMNAADRA2ACNR1
SCHEMBL23824720 0.77 TDP1 (0.54) TDP1ATMLMNAADRA2ACNR1
SCHEMBL8210825 0.77 TDP1 (0.54) TDP1ATMLMNAADRA2ACNR1
SCHEMBL5854396 0.77 TDP1 (0.54) TDP1ATMLMNAADRA2ACNR1
SCHEMBL5043710 0.77 TDP1 (0.54) TDP1ATMLMNAADRA2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998016487-A1 1S TO 1R EPIMERIZATIONS OF PYRETHROID INTERMEDIATES FMC CORPORATION (US) 1998-04-23 WO disclosed