SCHEMBL29627140

SCHEMBL29627140

C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)[C@]3(C4)C(=O)O[C@@H]4[C@H]5C(C)=CC[C@H]5[C@](C)(O)C[C@H](OC(C)=O)[C@H]43)[C@](C)(O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
MAPT P10636 1/20 1.00
MAPK1 P28482 1/20 1.00
HTT P42858 1/20 1.00
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
CYP19A1 P11511 2/20 0.33
UBE2D3 P61077 2/20 0.32
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
PKM P14618 2/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL27930878 1.00 GAA (1.00) GAAMAPTMAPK1HTTFNTA
Cumambrin A SCHEMBL29770064 0.73 MAPT (0.56) GAAMAPTMAPK1HTTFNTA
SCHEMBL8720626 0.73 MAPT (0.58) GAAMAPTMAPK1HTTCYP19A1
SCHEMBL8716078 0.73 GAA (0.57) GAAMAPTMAPK1HTTCYP19A1
SCHEMBL29711503 0.71 GAA (0.55) GAAMAPTMAPK1HTTCYP19A1
SCHEMBL30748700 0.63 ALDH1A1 (0.46) GAAMAPTMAPK1HTTCYP19A1
Cumambrin B SCHEMBL31055363 0.62 CYP19A1 (0.47) GAAMAPTMAPK1HTTFNTA
Gaillardin SCHEMBL29627440 0.61 PTGS2 (0.43) GAAMAPTMAPK1HTTFNTA
SCHEMBL29774509 0.57 FNTA (0.47) GAAMAPTMAPK1HTTFNTA
SCHEMBL21563549 0.56 CYP19A1 (0.42) GAAMAPTMAPK1HTTFNTA

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-119119271-A CD38 antibodies for the treatment of multiple myeloma 根马布股份公司 2024-12-13 CN disclosed
WO-2022128000-A1 GOODS TRANSPORT BY MEANS OF AN UNMANNED AIRCRAFT AND TRANSPORT CONTAINERS WANNOWSKY MARCEL (DE) 2022-06-23 WO disclosed