SCHEMBL20440922

SCHEMBL20440922

COc1cc(OC)cc(C2=CC=CC2[Hf](=C(c2ccccc2)c2ccccc2)C2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL20440977 0.89 RXRA (0.36)
SCHEMBL20440974 0.88 AKR1C3 (0.33) AKR1C3AKR1C2
SCHEMBL20440917 0.88 RXRA (0.33)
SCHEMBL20440986 0.87 CNR1 (0.32)
SCHEMBL20440949 0.87 TP53 (0.34) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL20440935 0.85 NR3C1 (0.33)
SCHEMBL20440997 0.84 APP (0.32)
SCHEMBL20440992 0.84 CNR1 (0.32)
SCHEMBL20440957 0.84
SCHEMBL20440991 0.82 CNR1 (0.34)

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