SCHEMBL9418486

SCHEMBL9418486

C=CCC(N)(CC=C)c1ccc(O)c(C(N)(CC=C)CC=C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
XDH P47989 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH2 P05091 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL9418480 0.80 HTT (0.33) ALDH1A1HTTTSHR
SCHEMBL11587838 0.77 HTT (0.39) ALDH1A1MAPTHTTTSHR
SCHEMBL5690395 0.77 ALDH1A1 (0.42) GABRA1GABRB2ALDH1A1MAPTKMT2A
SCHEMBL10907259 0.76 ESR1 (0.39) ALDH1A1HPGDHTTTSHRESR1
SCHEMBL11496599 0.74 HTT (0.41) ALDH1A1HTTTSHR
SCHEMBL1907546 0.74 GABRA1 (0.38) GABRA1GABRB2XDHALDH1A1MEN1
SCHEMBL11269727 0.73 ESR1 (0.46) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL27740974 0.72 GABRA1 (0.41) GABRA1GABRB2XDHALDH1A1MEN1
SCHEMBL11782486 0.71 DYRK1A (0.40) ALDH1A1HTTTSHR
SCHEMBL9418485 0.71 CA2 (0.40) GABRA1GABRB2ALDH1A1MAPTAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469811-B1 Accelerators for curing phenolic resole resins BORDEN INC (US) 1994-11-30 EP claimed
US-5294649-A Hardening agent of magnesioum hydroxide or lightburned magnesium oxide and promoter of a nitrogen-containing heterocyclic compound BORDEN, INC. (US) 1994-03-15 US claimed
EP-0469811-A2 Accelerators for curing phenolic resole resins Borden, Inc. (US) 1992-02-05 EP claimed