SCHEMBL11941709

SCHEMBL11941709

CC(C(=O)O)C(C)C(=O)OCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
ALDH1A1 P00352 1/20 0.34
TET2 Q6N021 3/20 0.33
LMNA P02545 3/20 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
SCHEMBL15015584 0.80 HCAR2 (0.42) ALDH1A1LMNAHDAC1HDAC2TSHR
SCHEMBL16394107 0.79 GABRP (0.41) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL719289 0.77 GABRP (0.39) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL15015941 0.77 ALDH1A1 (0.50) CYP1A2ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL3679000 0.77 ALDH1A1 (0.50) CYP1A2ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL25199857 0.76 GABRP (0.48) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL2932296 0.76 GABRP (0.38) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL4757433 0.75 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL4757436 0.75 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL15015691 0.75 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43560-E1 Positive photosensitive compositions FUJIFILM CORPORATION (JP) 2012-07-31 US disclosed
US-7812194-B2 Positive photosensitive composition FUJIFILM CORPORATION (JP) 2010-10-12 US disclosed
US-7776512-B2 Positive photosensitive composition FUJIFILM CORPORATION (JP) 2010-08-17 US disclosed
US-20090148791-A1 POSITIVE PHOTOSENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2009-06-11 US disclosed
US-7435526-B2 Positive photosensitive composition FUJIFILM CORPORATION (JP) 2008-10-14 US disclosed
US-20070003871-A1 Positive photosensitive composition FUJI PHOTO FILM CO., LTD. 2007-01-04 US disclosed