SCHEMBL30619633

SCHEMBL30619633

CC(C)(c1ccccc1)c1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3[O-])n2)c([O-])c(C(C)(C)c2ccccc2)c1.C[Zr+2]C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
CTSA P10619 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
ESR2 Q92731 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
SCHEMBL29601888 0.82 HSP90AA1 (0.33) ALDH1A1
SCHEMBL30422802 0.81 ESR1 (0.39) CNR1CNR2CTSAALDH1A1ESR1
SCHEMBL22320286 0.81 ESR1 (0.39) CNR1CNR2CTSAALDH1A1ESR1
SCHEMBL29601171 0.76 NPC1 (0.34) ALDH1A1CYP3A4
SCHEMBL23774996 0.76 CNR1 (0.37) CNR1CNR2ALDH1A1ESR1CYP3A4
SCHEMBL29601899 0.74 HSP90AA1 (0.33) ALDH1A1
SCHEMBL29601555 0.73 HSP90AA1 (0.32) ALDH1A1
SCHEMBL29396975 0.69 NPC1 (0.32)
SCHEMBL29601747 0.68 TGFBR1 (0.34) ALDH1A1
SCHEMBL30360631 0.68 COMT (0.33) CNR1CNR2

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