SCHEMBL7014135

SCHEMBL7014135

BrCCOc1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 4/20 0.32
MGAM O43451 3/20 0.31
SI P14410 3/20 0.31
MGAM2 Q2M2H8 3/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL5379670 0.92 LTA4H (0.41) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4630511 0.88 KCNA3 (0.41) KCNA3NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7648797 0.87 SMN1; SMN2 (0.51) KCNA3NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10785918 0.85 KCNA3 (0.43) KCNA3MAPTTAAR1ALDH1A1RECQL
SCHEMBL5026563 0.85 KCNA3 (0.43) KCNA3GAAHDAC3HDAC4HDAC1
SCHEMBL28073630 0.85 KCNA3 (0.43) KCNA3GAAHDAC3HDAC4HDAC1
SCHEMBL3227774 0.85 KCNA3 (0.43) KCNA3GAAHDAC3HDAC4HDAC1
SCHEMBL8140756 0.82 NPC1 (0.47) KCNA3NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5385658 0.81 LTA4H (0.44) KCNA3
SCHEMBL1006143 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5099030-A Phenols or phenolic ethers THE PROCTER & GAMBLE COMPANY (US) 1992-03-24 US claimed
CN-111205282-B ER protein modulators and uses thereof 上海科技大学 2023-12-01 CN disclosed
CN-117050002-A Novel compounds having estrogen receptor alpha degrading activity and uses thereof 冰洲石生物科技公司 2023-11-14 CN disclosed
CN-113164409-B Compounds having estrogen receptor alpha degrading activity and uses thereof 冰洲石生物科技公司 2023-07-18 CN disclosed
CN-108727407-B Novel benzodiazepine derivatives 伊缪诺金公司 2022-01-28 CN disclosed
CN-113164409-A Novel compounds having estrogen receptor alpha-degrading activity and uses thereof 冰洲石生物科技公司 2021-07-23 CN disclosed
CN-112566666-A Compounds targeting anti-cancer nuclear hormone receptors 努瓦申生物公司 2021-03-26 CN disclosed
CN-111205282-A ER protein modulators and uses thereof 上海科技大学 2020-05-29 CN disclosed
CN-105198908-B Novel benzodiazepine derivatives 伊缪诺金公司 2019-12-24 CN disclosed
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO disclosed
EP-0282127-B1 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them PROCTER & GAMBLE (US) 1994-02-02 EP disclosed
US-5099030-A Phenols or phenolic ethers THE PROCTER & GAMBLE COMPANY (US) 1992-03-24 US disclosed
US-5045565-A Novel compounds, pharmaceutical compositions, and methods for treating inflammation and pain THE PROCTER & GAMBLE COMPANY (US) 1991-09-03 US disclosed
EP-0282127-A2 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them THE PROCTER & GAMBLE COMPANY (US) 1988-09-14 EP disclosed