SCHEMBL10606842

SCHEMBL10606842

COC(=O)C(C)C(=O)CC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ TTR P02766 1/20 0.66
▸ PPOX P50336 1/20 0.66
▸ FFAR1 O14842 3/20 0.45
▸ LMNA P02545 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PYGL P06737 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL10608350 0.93 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10603867 0.92 MEN1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10607001 0.89 MEN1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10378909 0.87 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10377482 0.87 TDP1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379492 0.86 MEN1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379351 0.86 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11069784 0.86 MEN1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10603955 0.86 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Ammonia Solution, Strong SCHEMBL10379182 0.85 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX

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
EP-0167349-B1 META-SUBSTITUTED DIOXA-ALKANE CARBOXYLIC ACIDS, ESTERS, AMIDES AND SALTS OF DIPHENYL ETHERS ROHM AND HAAS COMPANY (US) 1989-08-30 — — EP disclosed
EP-0167349-A2 Meta-substituted dioxa-alkane carboxylic acids, esters, amides and salts of diphenyl ethers ROHM AND HAAS COMPANY (US) 1986-01-08 — — EP disclosed
Send feedback