SCHEMBL30619619

SCHEMBL30619619

COc1cc(-c2ccccc2-c2cc(C)cc(C34CC5(C)CC(C)(CC(C)(C5)C3)C4)c2O)nc(-c2ccccc2-c2cc(C)cc(C34CC5(C)CC(C)(CC(C)(C5)C3)C4)c2O)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.33
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABL1 P00519 1/20 0.31
ABCB1 P08183 1/20 0.31
BCR P11274 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 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
SCHEMBL23755024 1.00 PDK2 (0.33) PDK2ALDH1A1L3MBTL1ABL1ABCB1
SCHEMBL23775106 0.91 ABL1 (0.33) ABL1ABCB1BCR
SCHEMBL23754713 0.87 RARG (0.34) PDK2ALDH1A1L3MBTL1
SCHEMBL30619637 0.87 RARG (0.34) PDK2ALDH1A1L3MBTL1
SCHEMBL23754719 0.86 C5AR1 (0.31)
SCHEMBL30619645 0.86 C5AR1 (0.31)
SCHEMBL30619635 0.84
SCHEMBL30619621 0.83 PDK2 (0.36) PDK2ALDH1A1L3MBTL1
SCHEMBL23754717 0.83 PDK2 (0.36) PDK2ALDH1A1L3MBTL1
SCHEMBL30619623 0.83 PDK2 (0.36) PDK2ALDH1A1L3MBTL1

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
US-20230348634-A1 Propylene Polymers Obtained Using Transition Metal Bis(Phenolate) Catalyst Complexes and Homogeneous Process for Production Thereof EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-11-02 US disclosed