SCHEMBL11084674

SCHEMBL11084674

CCCCC1COC(CNC(=O)C(C)Oc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2[N+](=O)[O-])O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.36
ALDH1A1 P00352 4/20 0.36
FFAR1 O14842 3/20 0.35
LMNA P02545 5/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 2/20 0.33

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
SCHEMBL11083138 0.96 TDP1 (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11086226 0.94 TDP1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11091333 0.90 RAB9A (0.35) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11087944 0.87 TDP1 (0.53) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11192973 0.83 ALDH1A1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11091007 0.82 TDP1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11080021 0.81 TDP1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11087948 0.81 RAB9A (0.39) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11081834 0.80 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11081725 0.79 TDP1 (0.47) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478634-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1984-10-23 US disclosed
US-4402729-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1983-09-06 US disclosed