SCHEMBL9893498

SCHEMBL9893498

CCC(CC=O)CCOC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRNB2 P17787 1/20 0.35
TBXA2R P21731 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNA10 Q9GZZ6 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
SCHEMBL28326991 0.89 ALDH1A1 (0.47) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL8500941 0.87 ALDH1A1 (0.44) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL9893589 0.84 ALDH1A1 (0.50) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL9846050 0.84 ALDH1A1 (0.50) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL9893284 0.84 NAAA (0.40) ALDH1A1TSHRGAAATMCYP3A4
SCHEMBL9893459 0.83 ALDH1A1 (0.48) ALOX15ALDH1A1TSHRLMNAATM
SCHEMBL9893614 0.82 ALDH1A1 (0.47) ALOX15ALDH1A1TSHRLMNAATM
SCHEMBL27916058 0.82 ALDH1A1 (0.39) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL8768534 0.79 ALDH1A1 (0.50) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL3205425 0.77 ALDH1A1 (0.50) ALOX15ALDH1A1TSHRLMNAHSD17B10

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