SCHEMBL11079040

SCHEMBL11079040

CC(Oc1cccc(Oc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.43
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
ABCB11 O95342 1/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPAS1 Q99814 1/20 0.38
PYGL P06737 1/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL11188031 0.90 EPAS1 (0.39) KMT2ARAB9AMEN1TTRPPOX
SCHEMBL11093485 0.88 KMT2A (0.43) KMT2ATDP1PPARAPPARGLMNA
SCHEMBL11091006 0.85 KMT2A (0.43) KMT2ATDP1PPARAPPARGHPGD
SCHEMBL11084256 0.85 HTR2A (0.45) PTGDR2KMT2APPARAPPARGLMNA
SCHEMBL11087937 0.85 KMT2A (0.43) KMT2ARAB9ATDP1PPARAPPARG
SCHEMBL11086382 0.84 PTGDR2 (0.46) PTGDR2KMT2AMEN1TTRPPOX
SCHEMBL11091122 0.84 TDP1 (0.50) PTGDR2KMT2AMEN1TTRPPOX
SCHEMBL10675473 0.83 KMT2A (0.55) PTGDR2KMT2AMEN1PPARAPPARG
SCHEMBL9840490 0.82 PTGDR2 (0.47) PTGDR2KMT2APPARAPPARGABCB11
SCHEMBL10849818 0.80 PTGDR2 (0.39) PTGDR2KMT2ARAB9AHPGDSMN1; SMN2

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