SCHEMBL9858292

SCHEMBL9858292

CCCCCCCCCCCc1ccccc1.[NaH]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.69
▸ SIGMAR1 Q99720 6/20 0.60
▸ HTR2A P28223 2/20 0.59
▸ ESR1 P03372 2/20 0.59
▸ ADRA2A P08913 2/20 0.59
▸ ADORA3 P0DMS8 2/20 0.59
▸ TACR2 P21452 2/20 0.59
▸ SLC6A2 P23975 2/20 0.59
▸ SLC6A4 P31645 2/20 0.59
▸ SLC6A3 Q01959 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ SHBG P04278 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ HSPD1 P10809 1/20 0.59
▸ ADRB3 P13945 1/20 0.59
▸ HTR2C P28335 1/20 0.59
▸ HSPE1 P61604 1/20 0.59

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
SCHEMBL9853223 1.00 KCNH2 (0.69) KCNH2SIGMAR1HTR2AESR1ADRA2A
SCHEMBL9568691 1.00 KCNH2 (0.69) KCNH2SIGMAR1HTR2AESR1ADRA2A
SCHEMBL318925 1.00 KCNH2 (0.69) KCNH2SIGMAR1HTR2AESR1ADRA2A
SCHEMBL11704527 1.00 KCNH2 (0.69) KCNH2SIGMAR1HTR2AESR1ADRA2A
SCHEMBL11855272 1.00 KCNH2 (0.69) KCNH2SIGMAR1HTR2AESR1ADRA2A
SCHEMBL7768473 1.00 KCNH2 (0.69) KCNH2SIGMAR1HTR2AESR1ADRA2A
SCHEMBL2299713 1.00 KCNH2 (0.69) KCNH2SIGMAR1HTR2AESR1ADRA2A
Benzene SCHEMBL8879075 1.00 KCNH2 (0.69) KCNH2SIGMAR1HTR2AESR1ADRA2A
SCHEMBL9814496 1.00 KCNH2 (0.69) KCNH2SIGMAR1HTR2AESR1ADRA2A
SCHEMBL10611454 1.00 KCNH2 (0.69) KCNH2SIGMAR1HTR2AESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115161644-A Pipeline corrosion inhibitor for vapor-liquid two-phase transportation and preparation method and application thereof 青岛华节鼎孚节能科技有限公司 2022-10-11 — — CN disclosed
CN-112136809-A Compound solid fumigation disinfectant and using method thereof 浙江施维康生物医学材料有限公司 2020-12-29 — — CN disclosed
EP-0435379-A2 Suspension, coating, agglomeration and uses of imidoperoxycarboxylic acids Akzo Nobel N.V. (NL) 1991-07-03 — — EP disclosed
EP-0176124-B1 USE OF PEROXYCARBOXYLIC ACID-CONTAINING SUSPENSIONS AS BLEACHING COMPOSITIONS, NOVEL BLEACHING COMPOSITIONS AND BLEACHING COMPOSITIONS IN THE PACKAGED FORM AKZO N.V. (NL) 1989-07-19 — — EP disclosed
EP-0176124-A2 Use of peroxycarboxylic acid-containing suspensions as bleaching compositions, novel bleaching compositions and bleaching compositions in the packaged form AKZO N.V. (NL) 1986-04-02 — — EP disclosed
US-3996149-A SILICA BURKE OLIVER W JUN 1976-12-07 — — US disclosed
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