SCHEMBL29266736

SCHEMBL29266736

C=Cc1ccccc1C=C.CCCCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.56
▸ THRA P10827 4/20 0.49
▸ THRB P10828 4/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SIGMAR1 Q99720 4/20 0.49
▸ ESR1 P03372 2/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ TACR2 P21452 2/20 0.47
▸ SLC6A2 P23975 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SHBG P04278 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL28335425 0.85 KCNH2 (0.59) KCNH2THRATHRBHTR2AMEN1
Ethylene SCHEMBL27583044 0.85 KCNH2 (0.67) KCNH2HTR2ASIGMAR1ESR1ADRA2A
Ethylene SCHEMBL27390251 0.85 KCNH2 (0.67) KCNH2HTR2ASIGMAR1ESR1ADRA2A
Ethylene SCHEMBL28204736 0.85 KCNH2 (0.67) KCNH2HTR2ASIGMAR1ESR1ADRA2A
Ethylene SCHEMBL27414613 0.85 KCNH2 (0.67) KCNH2HTR2ASIGMAR1ESR1ADRA2A
Ethylene SCHEMBL28183301 0.85 KCNH2 (0.67) KCNH2HTR2ASIGMAR1ESR1ADRA2A
Ethylene SCHEMBL28238099 0.85 KCNH2 (0.67) KCNH2HTR2ASIGMAR1ESR1ADRA2A
Benzene SCHEMBL8518570 0.84 KCNH2 (0.71) KCNH2HTR2ASIGMAR1ESR1ADRA2A
SCHEMBL4932286 0.84 KCNH2 (0.71) KCNH2HTR2ASIGMAR1ESR1ADRA2A
SCHEMBL8679386 0.84 KCNH2 (0.71) KCNH2HTR2ASIGMAR1ESR1ADRA2A

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-118047895-A Preparation method of crosslinked polystyrene polymer with excellent mechanical properties and low double bond residues 深圳科瑞沃科技有限公司 2024-05-17 — — CN disclosed
Send feedback