SCHEMBL25807503

SCHEMBL25807503

COCC(O)COC(=O)c1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 10/20 0.67
▸ ADRB1 P08588 10/20 0.67
▸ ADRB3 P13945 10/20 0.67
▸ LMNA P02545 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ MAOA P21397 2/20 0.57
▸ TSHR P16473 2/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ PHLPP2 Q6ZVD8 1/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SCN1A P35498 1/20 0.52
▸ SCN2A Q99250 1/20 0.52
▸ SCN3A Q9NY46 1/20 0.52
▸ CYP2D6 P10635 1/20 0.51

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
SCHEMBL18087444 0.85 MAPT (0.59) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL24146265 0.85 ADRB2 (0.55) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL18234060 0.85 ADRB2 (0.66) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL10880505 0.85 ADRB2 (0.68) ADRB2ADRB1ADRB3LMNACYP1A2
Lisadimate SCHEMBL62520 0.83 ADRB2 (0.66) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL13120035 0.83 ALDH1A1 (0.66) ADRB2ADRB1ADRB3LMNATSHR
SCHEMBL5935394 0.81 ADRB2 (0.68) ADRB2ADRB1ADRB3LMNACYP1A2
Lisadimate SCHEMBL7263680 0.80 LMNA (0.71) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL13293266 0.80 ADRB2 (0.60) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL7027777 0.80 ADRB2 (0.65) ADRB2ADRB1ADRB3LMNACYP1A2

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-2023102652-A1 COMPOUNDS ATTACHABLE TO SKIN INKBOX INK INCORPORATED (CA) 2023-06-15 — — WO disclosed
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