SCHEMBL25936712

SCHEMBL25936712

CC(C)(C)OC(=O)N1CC=C(c2ccc(OCc3ccccc3)cc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.50
▸ PRMT5 O14744 8/20 0.49
▸ YAP1 P46937 3/20 0.48
▸ GPR119 Q8TDV5 2/20 0.48
▸ TNK2 Q07912 1/20 0.47
▸ GRM5 P41594 2/20 0.46
▸ GRM1 Q13255 2/20 0.46
▸ BTK Q06187 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL8195218 0.94 NAMPT (0.57) NAMPTPRMT5YAP1GPR119TNK2
SCHEMBL31009246 0.84 PDK4 (0.52) NAMPTYAP1GPR119TNK2GRM5
SCHEMBL1366854 0.84 PDK4 (0.52) NAMPTYAP1GPR119TNK2GRM5
SCHEMBL23249954 0.82 NAMPT (0.50) NAMPTPRMT5YAP1GPR119TNK2
SCHEMBL23411387 0.82 NAMPT (0.52) NAMPTGPR119TNK2GRM5GRM1
SCHEMBL29505171 0.81 CYP11B2 (0.53) NAMPTGPR119TNK2GRM5GRM1
SCHEMBL4006887 0.81 GRM1 (0.56) PRMT5GPR119TNK2GRM5GRM1
SCHEMBL30913564 0.81 GRM1 (0.56) PRMT5GPR119TNK2GRM5GRM1
SCHEMBL31510790 0.81 NAMPT (0.52) NAMPTGPR119TNK2GRM5GRM1
SCHEMBL749505 0.80 PPARG (0.47) NAMPTGPR119TNK2GRM5GRM1

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
CN-118574821-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2024-08-30 — — CN disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
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