SCHEMBL10603867

SCHEMBL10603867

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ TTR P02766 1/20 0.62
▸ PPOX P50336 1/20 0.62
▸ FFAR1 O14842 3/20 0.43
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ PYGL P06737 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MRGPRX4 Q96LA9 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
SCHEMBL10608350 0.96 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10606842 0.92 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10608590 0.87 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10607001 0.87 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10606224 0.86 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10603239 0.85 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10377482 0.85 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11069784 0.84 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378909 0.83 TDP1 (0.62) MEN1KMT2ATDP1TTRPPOX
Ammonia Solution, Strong SCHEMBL10379182 0.83 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX

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
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