SCHEMBL20440973

SCHEMBL20440973

COc1cc(OC)cc(C2=C([Hf](=C(C)C)C3c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)CC=C2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL20440921 0.88 AKR1C3 (0.33) AKR1C3AKR1C2ALDH1A1
SCHEMBL20440970 0.88
SCHEMBL20440951 0.86 CNR1 (0.31)
Hydrochloric Acid SCHEMBL20440961 0.85 CYP1A1 (0.33) ALDH1A1HPGD
SCHEMBL20440945 0.84 DHODH (0.31)
SCHEMBL20440931 0.81 CNR1 (0.35)
SCHEMBL20440905 0.80
SCHEMBL20440930 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL20440923 0.78 KIF11 (0.32) ALDH1A1
SCHEMBL20440966 0.78 NPC1 (0.31) ALDH1A1

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-10040883-B2 Multimodal polyolefin resin and molded product prepared therefrom DAELIM INDUSTRIAL CO., LTD. (KR) 2018-08-07 US disclosed