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SCHEMBL30619623

SCHEMBL30619623

Cc1cc(-c2ccccc2-c2cc(C(F)(F)F)cc(-c3ccccc3-c3cc(C)cc(C45CC6(C)CC(C)(CC(C)(C6)C4)C5)c3O)n2)c(O)c(C23CC4(C)CC(C)(CC(C)(C4)C2)C3)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.36
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PDK1 Q15118 1/20 0.31
▸ PDK3 Q15120 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 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
SCHEMBL30619621 1.00 PDK2 (0.36) PDK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23754717 1.00 PDK2 (0.36) PDK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23775109 0.92 PDK2 (0.31) PDK2
SCHEMBL23754713 0.86 RARG (0.34) PDK2ALDH1A1L3MBTL1
SCHEMBL30619637 0.86 RARG (0.34) PDK2ALDH1A1L3MBTL1
SCHEMBL23754796 0.86 PDK2 (0.33) PDK2
SCHEMBL30619620 0.86 PDK2 (0.33) PDK2
SCHEMBL30619639 0.84 PDK2 (0.32) PDK2
SCHEMBL30619649 0.84 PDK2 (0.32) PDK2
SCHEMBL23755024 0.83 PDK2 (0.33) 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