SCHEMBL30516558

SCHEMBL30516558

[2H]c1cc(C(C)(C)C)ccc1CC(C)C=O

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.78
TSHR P16473 1/20 0.78
GRIA4 P48058 1/20 0.38
ACACB O00763 3/20 0.37
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
EPHX1 P07099 1/20 0.36
COPS5 Q92905 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
EPHX2 P34913 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
APP P05067 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
MITF O75030 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL81866 0.88 TP53 (1.00) TP53TSHRGRIA4ACACBEBP
SCHEMBL13453994 0.88 TP53 (1.00) TP53TSHRGRIA4ACACBEBP
SCHEMBL16880397 0.88 TP53 (1.00) TP53TSHRGRIA4ACACBEBP
Benzene SCHEMBL28938992 0.85 TP53 (0.93) TP53TSHRGRIA4ACACBEBP
SCHEMBL4428387 0.83 TP53 (0.90) TP53TSHRGRIA4ACACBEBP
SCHEMBL5091992 0.78 TP53 (0.79) TP53TSHRGRIA4ACACBEBP
SCHEMBL8338244 0.77 TP53 (0.77) TP53TSHRGRIA4ACACBEBP
SCHEMBL11553698 0.77 TP53 (0.72) TP53TSHRACACBCOPS5
SCHEMBL19894770 0.75 TP53 (0.69) TP53TSHRGRIA4SIGMAR1EPHX1
SCHEMBL4447719 0.75 TP53 (0.74) TP53TSHRACACBCOPS5POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568786-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-08 CN claimed
CN-116528818-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-01 CN claimed
CN-116568786-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-08 CN disclosed
CN-116528818-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-01 CN disclosed