SCHEMBL6536389

SCHEMBL6536389

C=CC(=O)OC(C)OC(=O)c1cccc(C(=O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ALB P02768 1/20 0.38
MMP2 P08253 1/20 0.38
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
HNF4A P41235 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HMGB1 P09429 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 2/20 0.33
AKR1B10 O60218 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
SCHEMBL301791 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL19210179 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL301790 0.84 TSHR (0.43) ALDH1A1KDM4EHSD17B10KMT2ACYP3A4
SCHEMBL8993412 0.81 LMNA (0.49) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6536427 0.81 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL8548923 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL17924927 0.78 TSHR (0.39) ALDH1A1KDM4EHSD17B10KMT2ACYP3A4
SCHEMBL20481917 0.78 TSHR (0.45) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL5450046 0.78 ADRB2 (0.44) ALDH1A1KDM4EHPGDKMT2ANPC1
SCHEMBL6872719 0.78 AKR1C3 (0.44) ALDH1A1KMT2ACYP3A4CYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713523-B2 DECOLORING DYES FUJI PHOTO FILM CO., LTD. (JP) 2004-03-30 US disclosed
US-20020168494-A1 Photopolymerizable composition and photosensitive thermal recording material FUJI PHOTO FILM CO., LTD. 2002-11-14 US disclosed
EP-0412570-A2 Light- and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-02-13 EP disclosed