SCHEMBL11867696

SCHEMBL11867696

CC=CC(=O)Nc1cccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ TP53 P04637 3/20 0.51
▸ CYP3A4 P08684 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ FAAH O00519 1/20 0.50
▸ MTNR1A P48039 1/20 0.49
▸ MTNR1B P49286 1/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CDK8 P49336 1/20 0.46
▸ DHODH Q02127 1/20 0.46

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
SCHEMBL11867688 1.00 MAPT (0.51) MAPTTP53CYP3A4ALDH1A1MAPK1
SCHEMBL28526623 0.83 MAPT (0.59) MAPTTP53CYP3A4ALDH1A1POLB
SCHEMBL11864277 0.82 TRPV1 (0.58) MAPTTP53CYP3A4ALDH1A1MAPK1
SCHEMBL11864266 0.82 TRPV1 (0.58) MAPTTP53CYP3A4ALDH1A1MAPK1
SCHEMBL11591688 0.81 CYP3A4 (0.55) MAPTCYP3A4ALDH1A1MAPK1POLB
SCHEMBL30063430 0.78 POLB (0.72) MAPTTP53ALDH1A1MAPK1POLB
SCHEMBL11175842 0.78 POLB (0.72) MAPTTP53ALDH1A1MAPK1POLB
SCHEMBL11863218 0.76 MTNR1A (0.49) MAPTTP53CYP3A4ALDH1A1MAPK1
SCHEMBL11863225 0.76 MTNR1A (0.49) MAPTTP53CYP3A4ALDH1A1MAPK1
SCHEMBL11307113 0.75 MEN1 (0.55) MAPTCYP3A4ALDH1A1MAPK1POLB

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
US-3979202-A Meta-bifunctional benzenes and herbicidal compositions MONSANTO COMPANY (US) 1976-09-07 — — US disclosed
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