SCHEMBL27374753

SCHEMBL27374753

O=C(COc1ccc(Cl)cc1Cl)NOCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.66
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ TDP1 Q9NUW8 2/20 0.55
▸ ADAMTS5 Q9UNA0 1/20 0.54
▸ HPGD P15428 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ MITF O75030 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TSHR P16473 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPT P10636 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53

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
SCHEMBL27374653 0.88 LMNA (0.62) LMNAL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL27374651 0.80 TDP1 (0.60) LMNAL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL27374748 0.80 SMN1; SMN2 (0.58) LMNAL3MBTL1ALDH1A1TDP1ADAMTS5
SCHEMBL27374817 0.76 SMN1; SMN2 (0.68) LMNAL3MBTL1ALDH1A1TDP1HPGD
SCHEMBL27374823 0.76 SMN1; SMN2 (0.67) LMNAL3MBTL1ALDH1A1TDP1HPGD
SCHEMBL27374904 0.76 ALDH1A1 (0.60) LMNAALDH1A1TDP1HPGDTP53
SCHEMBL4211676 0.76 SMN1; SMN2 (0.67) LMNAL3MBTL1ALDH1A1TDP1HPGD
SCHEMBL31503217 0.76 LMNA (0.60) LMNAL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL27374173 0.76 LMNA (0.57) LMNAL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL27374730 0.74 TDP1 (0.67) LMNAL3MBTL1ALDH1A1CYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024031002-A1 (2,4-DICHLOROPHENOXY)ACETIC ACID ANALOGS CORTEVA AGRISCIENCE LLC (US) 2024-02-08 — — WO disclosed
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