SCHEMBL27177326

SCHEMBL27177326

Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.57
▸ CYP3A4 P08684 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TP53 P04637 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
SCHEMBL30887308 1.00 PSIP1 (0.57) PSIP1CYP3A4SMN1; SMN2NR1I2MAPT
SCHEMBL29985876 1.00 PSIP1 (0.57) PSIP1CYP3A4SMN1; SMN2NR1I2MAPT
SCHEMBL27205400 1.00 PSIP1 (0.57) PSIP1CYP3A4SMN1; SMN2NR1I2MAPT
SCHEMBL29985665 0.86 CYP3A4 (0.59) PSIP1CYP3A4SMN1; SMN2MAPTKDM4E
SCHEMBL12992669 0.80 CYP3A4 (0.63) PSIP1CYP3A4NR1I2
SCHEMBL18347848 0.80 CYP3A4 (0.63) PSIP1CYP3A4NR1I2
SCHEMBL13269047 0.78 CYP3A4 (0.48) PSIP1CYP3A4SMN1; SMN2NR1I2NPC1
SCHEMBL16258491 0.78 CYP3A4 (0.48) PSIP1CYP3A4SMN1; SMN2NR1I2MAPT
SCHEMBL10157230 0.78 CYP3A4 (0.48) PSIP1CYP3A4SMN1; SMN2NR1I2MAPT
SCHEMBL15254271 0.77 PSIP1 (0.61) PSIP1CYP3A4NR1I2

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
WO-2023099806-A1 METHOD FOR THE DETECTION OF SCUTICOCILIATE PARASITES UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2023-06-08 — — WO claimed
WO-2024061978-A1 METHOD FOR THE DIAGNOSIS OF ULCERATIVE COLITIS UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2024-03-28 — — WO disclosed
EP-4343001-A1 METHOD FOR THE DIAGNOSIS OF ULCERATIVE COLITIS Universidade de Santiago de Compostela (ES) 2024-03-27 — — EP disclosed
WO-2023099806-A1 METHOD FOR THE DETECTION OF SCUTICOCILIATE PARASITES UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2023-06-08 — — WO disclosed
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