SCHEMBL27707604

SCHEMBL27707604

CCCCCC[C]1C=CC=C1.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
BACE1 P56817 1/20 0.41
PTGS2 P35354 4/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40
HSPD1 P10809 1/20 0.40
ADRB3 P13945 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL27688234 0.95 ACHE (0.41) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL27688241 0.95 ACHE (0.41) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL27707599 0.90 HPGD (0.33) ACHEBACE1PTGS2CYP3A4ALDH1A1
SCHEMBL136520 0.88 LIPG (0.39) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL27688236 0.84 HPGD (0.33) ACHEBACE1PTGS2CYP3A4ALDH1A1
SCHEMBL27688230 0.84 HPGD (0.33) ACHEBACE1PTGS2CYP3A4ALDH1A1
SCHEMBL28168517 0.78
SCHEMBL27472624 0.73
SCHEMBL32666031 0.70 LIPG (0.41) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL31177895 0.68 PTGS2 (0.39) ACHEBACE1PTGS2ESR1ADRA2A

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-101121764-B Catalyst composition applied to production of syndiotactic polystyrene material GRAND PACIFIC PETROCHEMICAL CORP 2010-05-26 CN claimed
CN-101121764-A Catalyst composition applied to production of syndiotactic polystyrene material GRAND PACIFIC PETROCHEMICAL CO (CN) 2008-02-13 CN claimed
CN-101121764-B Catalyst composition applied to production of syndiotactic polystyrene material GRAND PACIFIC PETROCHEMICAL CORP 2010-05-26 CN disclosed
CN-101121764-A Catalyst composition applied to production of syndiotactic polystyrene material GRAND PACIFIC PETROCHEMICAL CO (CN) 2008-02-13 CN disclosed