SCHEMBL4603382

SCHEMBL4603382

CCCC(O)N(c1ccc(C)cc1)C(O)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 3/20 0.37
AOC3 Q16853 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SLC6A3 Q01959 3/20 0.36
CHRNA7 P36544 1/20 0.35
ATM Q13315 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MAPT P10636 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL147287 0.86 PDE5A (0.37) ALDH1A1TSHRRAB9A
SCHEMBL146242 0.85 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ASLC6A4
SCHEMBL14840332 0.81 AOC3 (0.49) ALDH1A1TSHRSLC6A4SLC6A2AOC3
Hydroquinone SCHEMBL8038441 0.79 ACHE (0.48) ALDH1A1TSHRMEN1KMT2ASLC6A2
Benzoquinone SCHEMBL8053003 0.76 MEN1 (0.34) ALDH1A1TSHRMEN1KMT2ASLC6A4
SCHEMBL4352146 0.75 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ASLC6A4
SCHEMBL11299450 0.75 ALDH1A1 (0.39) ALDH1A1TSHRSLC6A4SLC6A2CA12
SCHEMBL80210 0.73 ALDH1A1 (0.46) ALDH1A1TSHRSLC6A4SLC6A2CA2
Ammonia Solution, Strong SCHEMBL3137153 0.71 ALDH1A1 (0.44) ALDH1A1TSHRSLC6A4SLC6A2CA2
SCHEMBL21812134 0.71 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2ACHRNA7

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
EP-0872529-B2 BINDER FOR BUILDING STRUCTURES ASAHI CHEMICAL IND (JP) 2008-07-09 EP disclosed
EP-0872529-B1 BINDER FOR BUILDING STRUCTURES ASAHI CHEMICAL IND (JP) 2004-09-29 EP disclosed
US-6015845-A Binder for building structure ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-01-18 US disclosed
EP-0872529-A1 BINDER FOR BUILDING STRUCTURES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-10-21 EP disclosed