SCHEMBL8679386

SCHEMBL8679386

CCCCCCCCCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.71
▸ SIGMAR1 Q99720 6/20 0.62
▸ ESR1 P03372 2/20 0.61
▸ ADRA2A P08913 2/20 0.61
▸ ADORA3 P0DMS8 2/20 0.61
▸ TACR2 P21452 2/20 0.61
▸ SLC6A2 P23975 2/20 0.61
▸ SLC6A4 P31645 2/20 0.61
▸ SLC6A3 Q01959 2/20 0.61
▸ HTR2A P28223 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ SHBG P04278 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HSPD1 P10809 1/20 0.61
▸ ADRB3 P13945 1/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ HSPE1 P61604 1/20 0.61

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
Benzene SCHEMBL8518570 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL33437 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
Benzene SCHEMBL2355019 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL4932286 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL8678550 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
Benzene SCHEMBL8518614 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL1619768 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL29401 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL1331102 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL8614349 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105237902-A Medical PVC material suitable for [beta]-electron beam sterilization and preparation method thereof SHENZHEN HOPEFINDER POLYMER SCI &TECH CO LTD 2016-01-13 — — CN claimed
CN-118369739-B Magnetically viscous fluid and mechanical device 索马龙株式会社 2026-05-12 — — CN disclosed
CN-118369739-A Magnetically viscous fluid and mechanical device 索马龙株式会社 2024-07-19 — — CN disclosed
CN-105237902-A Medical PVC material suitable for [beta]-electron beam sterilization and preparation method thereof SHENZHEN HOPEFINDER POLYMER SCI &TECH CO LTD 2016-01-13 — — CN disclosed
US-5707639-A Solid insect growth regulating compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 — — US disclosed
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