SCHEMBL10648910

SCHEMBL10648910

O=C(OCCOCc1ccccc1)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 3/20 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 2/20 0.48
▸ PPARD Q03181 2/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ MRGPRX4 Q96LA9 4/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ UGCG Q16739 2/20 0.41
▸ PYGL P06737 1/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ AKR1C4 P17516 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
SCHEMBL10655496 0.95 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11364733 0.92 TDP1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10500001 0.91 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11116937 0.90 TDP1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10499965 0.90 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10651459 0.90 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11107404 0.88 MEN1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10508773 0.87 MEN1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10650691 0.87 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10501353 0.86 TDP1 (0.74) 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
US-4769484-A Phenoxybenzoic acid ester herbicides BAYER AKTIENGESELLSCHAFT (DE) 1988-09-06 — — US claimed
US-4769484-A Phenoxybenzoic acid ester herbicides BAYER AKTIENGESELLSCHAFT (DE) 1988-09-06 — — US disclosed
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