SCHEMBL14719488

SCHEMBL14719488

CCCCOC(=O)C(C)O.CCOC(=O)C(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX1 P07099 1/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2103330 0.94 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDMAPT
SCHEMBL26742 0.94 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDMAPT
SCHEMBL992236 0.94 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDMAPT
SCHEMBL4420991 0.92 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMAPT
SCHEMBL28217996 0.91 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDMAPT
Ammonia Solution, Strong SCHEMBL11068070 0.91 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDMAPT
SCHEMBL28152340 0.91 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDMAPT
Acetic Acid Butyl Ester SCHEMBL7192567 0.90 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDMAPT
Acetic Acid Butyl Ester SCHEMBL6339677 0.90 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDMAPT
Bicarbonate SCHEMBL9738028 0.89 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDMAPT

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
CN-103571499-B Crystal aligning agent, liquid crystal orienting film and liquid crystal display cells JSR CO., LTD. (JP) 2016-05-04 CN disclosed
US-9282644-B2 Photosensitive resin composition, cured product thereof, and printed wiring board TAIYO HOLDINGS CO., LTD. (JP) 2016-03-08 US disclosed
US-20140360758-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT THEREOF, AND PRINTED WIRING BOARD TAIYO HOLDINGS CO., LTD. (JP) 2014-12-11 US disclosed
US-20130048357-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT THEREOF, AND PRINTED WIRING BOARD TAIYO HOLDINGS CO., LTD. (JP) 2013-02-28 US disclosed