SCHEMBL5083308

SCHEMBL5083308

[CH2]CCOc1cccc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HTR1B P28222 1/20 0.42
TRPA1 O75762 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
JAK2 O60674 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 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
SCHEMBL27946667 0.88 ALDH1A1 (0.54) ALDH1A1HTR1BTRPA1GABRA1GABRB2
SCHEMBL4887288 0.81 LMNA (0.53) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL6858603 0.81 CYP1A2 (0.50) ALDH1A1HTR1BTRPA1MAPTLMNA
SCHEMBL11103978 0.81 HTR1B (0.62) ALDH1A1HTR1BMAPTLMNAGAA
SCHEMBL73523 0.80 TDP1 (0.53) ALDH1A1MAPTLMNATDP1KDM4E
SCHEMBL27593666 0.80 HTR1B (0.50) ALDH1A1HTR1BTRPA1MAPTLMNA
SCHEMBL1264523 0.79 CA2 (0.53) ALDH1A1GABRA1GABRB2MAPTLMNA
SCHEMBL11287144 0.79 MEN1 (0.50) ALDH1A1MAPTLMNAKMT2ACYP2C19
SCHEMBL9191426 0.79 ALDH1A1 (0.52) ALDH1A1TRPA1GABRA1GABRB2MAPT
SCHEMBL15779795 0.77 ALDH1A1 (0.50) ALDH1A1HTR1BTRPA1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP claimed
EP-1792940-B1 ACRYLIC SOL COMPOSITION ADEKA CORP (JP) 2008-10-22 EP disclosed
US-20070251415-A1 Acrylic Sol Composition ADEKA CORPORATION (JP) 2007-11-01 US disclosed
EP-1792940-A1 ACRYLIC SOL COMPOSITION Adeka Corporation (JP) 2007-06-06 EP disclosed
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP disclosed