SCHEMBL2909321

SCHEMBL2909321

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CFTR P13569 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
PPM1B O75688 1/20 0.37
IDO1 P14902 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 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
SCHEMBL2910002 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL28006029 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL215701 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL12760916 0.73 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL711243 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL29671061 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL105277 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL31273443 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL955863 0.70 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL27639445 0.69 AKR1C2 (0.48) ALDH1A1KDM4EHPGDHSD17B10TDP1

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
US-8475996-B2 Photosensitive resin composition ASAHI KASEI E-MATERIALS CORPORATION (JP) 2013-07-02 US disclosed
EP-2221326-A1 PHOTOSENSITIVE RESIN COMPOSITION Asahi Kasei E-materials Corporation (JP) 2010-08-25 EP disclosed
US-20100209669-A1 PHOTOSENSITIVE RESIN COMPOSITION ASAHI KASEI E-MATERIALS CORPORATION (JP) 2010-08-19 US disclosed