SCHEMBL16212066

SCHEMBL16212066

O=C(O)CCC(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2c([N+](=O)[O-])ccc(O)c2C3=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CSNK2A2 P19784 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
SCHEMBL14579487 0.83 CYP3A4 (0.55) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL29384907 0.81 MAPT (0.67) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL30513726 0.81 MAPT (0.67) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL5360956 0.81 MAPT (0.67) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL15603995 0.79 CYP3A4 (0.57) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL16222274 0.78 CYP3A4 (0.60) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11301645 0.78 CYP3A4 (0.63) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11117743 0.76 CYP3A4 (0.72) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL1993642 0.76 CYP3A4 (0.72) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11796394 0.76 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2992053-B1 COLORING AGENTS NATURALISED WITH THE 6'-DEOXY-6'-(PIPERAZINYL)LACTOSE MOIETY UNIV DEGLI STUDI DI FIRENZE (IT) 2018-11-28 — — EP disclosed
EP-2992053-A1 COLORING AGENTS NATURALISED WITH THE 6'-DEOXY-6'-(PIPERAZINYL)LACTOSE MOIETY Universita' Degli Studi di Firenze (IT) 2016-03-09 — — EP disclosed
WO-2014177528-A1 COLORING AGENTS NATURALISED WITH THE 6'-DEOXY-6'-(PIPERAZINYL)LACTOSE MOIETY UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-11-06 — — WO disclosed
WO-2014177528-A1 COLORING AGENTS NATURALISED WITH THE 6'-DEOXY-6'-(PIPERAZINYL)LACTOSE MOIETY UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-11-06 — — WO disclosed
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