SCHEMBL9893589

SCHEMBL9893589

CCCCC(CC=O)CCOC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 4/20 0.41
ATM Q13315 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 4/20 0.36
CA1 P00915 1/20 0.36
HCAR2 Q8TDS4 3/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 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
SCHEMBL9893459 0.95 ALDH1A1 (0.48) ALDH1A1TSHRATMCYP3A4ALOX15
SCHEMBL9893614 0.94 ALDH1A1 (0.47) ALDH1A1TSHRATMALOX15HCAR2
SCHEMBL8500941 0.90 ALDH1A1 (0.44) ALDH1A1TSHRATMALOX15HCAR2
SCHEMBL9893380 0.85 NAAA (0.49) ALDH1A1TSHRATMCYP3A4TDP1
SCHEMBL9893498 0.84 ALOX15 (0.42) ALDH1A1TSHRATMCYP3A4ALOX15
SCHEMBL9439183 0.82 ALDH1A1 (0.57) ALDH1A1TSHRATMCYP3A4TDP1
SCHEMBL28326991 0.81 ALDH1A1 (0.47) ALDH1A1TSHRATMCYP3A4ALOX15
SCHEMBL17676346 0.81 ALDH1A1 (0.55) ALDH1A1TSHRATMCYP3A4TDP1
SCHEMBL9893336 0.81 NAAA (0.51) TSHRATMCYP3A4TDP1HCAR2
SCHEMBL3099299 0.80 TSHR (0.46) ALDH1A1TSHRATMCYP3A4TDP1

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
US-9074020-B2 Cellulose derivative, resin composition, molded body, method for preparation thereof, and case for electric and electronic device FUJIFILM CORPORATION (JP) 2015-07-07 US disclosed
EP-2465874-B1 CELLULOSE DERIVATIVE, RESIN COMPOSITION, MOLDED ARTICLE AND PROCESS FOR PRODUCTION THEREOF, AND HOUSING FOR ELECTRIC AND ELECTRONIC DEVICE FUJIFILM CORP (JP) 2015-02-25 EP disclosed
EP-2465874-A1 CELLULOSE DERIVATIVE, RESIN COMPOSITION, MOLDED ARTICLE AND PROCESS FOR PRODUCTION THEREOF, AND HOUSING FOR ELECTRIC AND ELECTRONIC DEVICE FUJIFILM Corporation (JP) 2012-06-20 EP disclosed
US-20120146468-A1 CELLULOSE DERIVATIVE, RESIN COMPOSITION, MOLDED BODY, METHOD FOR PREPARATION THEREOF, AND CASE FOR ELECTRIC AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2012-06-14 US disclosed