SCHEMBL20663360

SCHEMBL20663360

C=Nc1ccc(C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ HPGD P15428 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ L3MBTL4 Q8NA19 1/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL13888877 0.79 ACHE (0.56) ACHEALDH1A1CYP3A4HPGDMAPT
SCHEMBL12461104 0.79 ACHE (0.56) ACHEALDH1A1CYP3A4HPGDMAPT
SCHEMBL28571690 0.79 CA12 (0.56) ALDH1A1CYP3A4HPGDMAPTCYP2C9
SCHEMBL26556937 0.78 ALDH1A1 (0.38) ACHEALDH1A1CYP3A4HPGDTDP1
SCHEMBL17133382 0.76 ACHE (0.52) ACHEALDH1A1CYP3A4HPGDMAPT
SCHEMBL14930477 0.76 MAPT (0.54) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL9938324 0.75 ACHE (0.68) ACHEALDH1A1CYP3A4HPGDMAPT
SCHEMBL14926681 0.75 MAPT (0.53) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL5252562 0.75 ALDH1A1 (0.71) ACHEALDH1A1CYP3A4HPGDMAPT
SCHEMBL11317412 0.75 ACHE (0.50) ACHEALDH1A1CYP3A4HPGDMAPT

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
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 — — WO disclosed
EP-2791137-B1 PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION PROCESS THEREFOR AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2019-01-23 — — EP disclosed
Send feedback