SCHEMBL6027489

SCHEMBL6027489

[CH2]CC[C](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.39
CES2 O00748 3/20 0.39
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
NR4A2 P43354 1/20 0.37
KMT2A Q03164 2/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3298136 0.85 CES1 (0.46) CES1CES2L3MBTL1LMNAMAPK1
SCHEMBL3281895 0.80 L3MBTL1 (0.44) CES1CES2L3MBTL1LMNAMAPK1
SCHEMBL9804382 0.80 CES1 (0.42) CES1CES2MAOAMAOBL3MBTL1
SCHEMBL816510 0.78 CES2 (0.54) CES1CES2L3MBTL1LMNAMAPT
SCHEMBL6003390 0.75 MAPT (0.39) CES1CES2MAOAMAOBL3MBTL1
SCHEMBL820442 0.74 PTGS2 (0.59) CES1CES2KMT2APTGS2MEN1
SCHEMBL1305408 0.74 ALDH1A1 (0.59) MAPK1HTTMAPTTDP1KMT2A
SCHEMBL3287793 0.74 CES1 (0.48) CES1CES2L3MBTL1LMNAMAPK1
SCHEMBL1005574 0.73 MAOA (0.50) MAOAMAOBL3MBTL1LMNAMAPK1
SCHEMBL816636 0.73 CES2 (0.58) CES1CES2L3MBTL1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989036-B2 Reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGELLSCHAFT (DE) 2006-01-24 US disclosed
US-20040102616-A1 Novel reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
EP-1392777-A1 NOVEL REACTIVE DYES AND USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-03-03 EP disclosed
WO-2002088257-A1 NOVEL REACTIVE DYES AND USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 2002-11-07 WO disclosed
EP-0885897-B1 Optically active diphosphine ligands BASF AG (DE) 2002-08-21 EP disclosed
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
EP-0906324-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
EP-0885897-A1 Optically active diphosphine ligands BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1997045436-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1997-12-04 WO disclosed