SCHEMBL28857412

SCHEMBL28857412

CC(C)C1=Cc2cccc(-c3ccc(C(C)(C)C)cc3)c2[CH]1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PTAFR P25105 1/20 0.35
GRIN2C Q14957 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL673246 0.88 PTAFR (0.35) AKR1C3AKR1C2PTAFRTSHRBRD4
SCHEMBL27613148 0.87 PTAFR (0.34) AKR1C3AKR1C2PTAFRTSHRBRD4
SCHEMBL27512767 0.83 PTAFR (0.33) PTAFRBRD4CREBBP
SCHEMBL28210709 0.83 PTAFR (0.33) PTAFRBRD4CREBBP
SCHEMBL1238964 0.75 RXRA (0.33) PTAFR
SCHEMBL28769778 0.75 KIF11 (0.36) AKR1C3AKR1C2
SCHEMBL4463931 0.75 PTAFR (0.33) PTAFRBRD4CREBBP
SCHEMBL15163648 0.74
SCHEMBL672592 0.74 TSHR (0.39) PTAFRNR1H4TSHRBRD4CREBBP
SCHEMBL4463470 0.73 PTAFR (0.32) PTAFR

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
CN-107690441-A It is prepared by single reactor of the polymer in gas phase or slurry phase 埃克森美孚化学专利公司 2018-02-13 CN claimed