SCHEMBL9893581

SCHEMBL9893581

CC(=O)OCCC(CC=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9893462 0.85 CHRNB2 (0.40) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL3980676 0.79 MTNR1A (0.53) CYP1A2CYP2D6CHRNB2CHRNB4CHRNA3
SCHEMBL9893968 0.78 NPBWR1 (0.38) ALDH1A1MTNR1AMTNR1B
SCHEMBL19448920 0.77 CHRNB2 (0.40) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL9389062 0.76 PABPC1 (0.50) CYP1A2CYP2D6CHRNB2CHRNB4CHRNA3
SCHEMBL8743250 0.76 RIPK1 (0.49) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4781947 0.76 ALDH1A1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL8743244 0.76 RIPK1 (0.49) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20885187 0.76 ALDH1A1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL18018653 0.75 CHRNB2 (0.39) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1

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