SCHEMBL11114839

SCHEMBL11114839

CCOC(=O)c1cc(Oc2c(F)c(F)c(C)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPT P10636 8/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ MITF O75030 2/20 0.40
▸ CCR6 P51684 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GALR2 O43603 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TTR P02766 1/20 0.39
▸ PPOX P50336 1/20 0.39
▸ USP10 Q14694 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL11266141 0.94 TDP1 (0.45) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10877259 0.93 ALDH1A1 (0.42) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11272565 0.90 TDP1 (0.41) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9442003 0.90 SMN1; SMN2 (0.42) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11213666 0.89 TDP1 (0.57) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11276851 0.88 TDP1 (0.39) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11278070 0.88 TDP1 (0.41) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9120594 0.87 MEN1 (0.52) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11190333 0.87 TDP1 (0.43) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10430085 0.86 TDP1 (0.43) TDP1MAPTALDH1A1LMNASMN1; 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-4435588-A 2'-CHLORO-4'-TRIFLUOROMETHYL-PHENOXY-3-BENZOATE DERIVATIVES GAF CORPORATION (US) 1984-03-06 — — US disclosed
EP-0023100-A1 Herbicidal compositions comprising a diphenyl ether compound in admixture with another herbicide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 — — EP disclosed
Send feedback