SCHEMBL28563724

SCHEMBL28563724

C=Cc1cc(CCCCCC)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 6/20 0.46
▸ THRA P10827 5/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SKP2 Q13309 1/20 0.45
▸ ESR1 P03372 2/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ TACR2 P21452 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SHBG P04278 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HSPD1 P10809 1/20 0.44
▸ ADRB3 P13945 1/20 0.44

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
SCHEMBL28877208 0.93 SKP2 (0.51) THRBTHRAMEN1KMT2ASKP2
SCHEMBL8371448 0.87 SKP2 (0.49) THRBTHRAMEN1KMT2ASKP2
SCHEMBL17160010 0.87 SKP2 (0.49) THRBTHRAMEN1KMT2ASKP2
SCHEMBL10532948 0.86 THRB (0.49) THRBTHRAMEN1KMT2AESR1
SCHEMBL10744390 0.86 THRB (0.49) THRBTHRAMEN1KMT2AESR1
SCHEMBL10530822 0.86 THRB (0.49) THRBTHRAMEN1KMT2AESR1
SCHEMBL10532923 0.86 THRB (0.49) THRBTHRAMEN1KMT2AESR1
SCHEMBL10745919 0.86 THRB (0.49) THRBTHRAMEN1KMT2AESR1
SCHEMBL1031286 0.83 THRA (0.46) THRBTHRAMEN1KMT2AESR1
SCHEMBL12802122 0.83 THRA (0.46) THRBTHRAMEN1KMT2AESR1

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-112812358-A Reclaimed rubber 财团法人工业技术研究院 2021-05-18 — — CN disclosed
Send feedback