SCHEMBL9065302

SCHEMBL9065302

[Li]c1ccc(N2CCCC2)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
THRB P10828 1/20 0.43
NR4A1 P22736 1/20 0.43
PTK2B Q14289 1/20 0.43
ALDH1A3 P47895 3/20 0.41
NCF1 P14598 1/20 0.38
POLB P06746 1/20 0.36
S100B P04271 1/20 0.36
LMNA P02545 1/20 0.36
KEAP1 Q14145 1/20 0.35
ADRB1 P08588 1/20 0.35
HTT P42858 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9064919 0.98 GAA (0.43) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9063707 0.98 GAA (0.43) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL20589010 0.75 ALDH1A1 (0.43) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9065303 0.73 ALDH1A1 (0.46) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9064922 0.72 ALDH1A3 (0.45) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL533139 0.69 ALDH1A1 (0.55) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL3727593 0.69 KEAP1 (0.56) ALDH1A1MAPTGAAKMT2AKEAP1
SCHEMBL25228611 0.68 LMNA (0.46) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL23843550 0.68 ADRB1 (0.69) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL533566 0.68 ALDH1A1 (0.53) ALDH1A1MAPTGAAMEN1KMT2A

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
US-5521309-A ANIONIC POLYMERIZATION CATALYST BRIDGESTONE CORPORATION (JP) 1996-05-28 US claimed
US-5536801-A Allyl-and xylyl-amine containing elastomers and products having reduced hysteresis BRIDGESTONE CORPORATION (JP) 1996-07-16 US disclosed
US-5521309-A ANIONIC POLYMERIZATION CATALYST BRIDGESTONE CORPORATION (JP) 1996-05-28 US disclosed
US-5502131-A ORGANOLITHIUM CATALYST BRIDGESTONE CORPORATION (JP) 1996-03-26 US disclosed