SCHEMBL10600800

SCHEMBL10600800

CCCOC(=O)c1ccc(-c2c(C(=O)O)ccc(C(=O)O)c2-c2ccc(C(=O)OCCC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
ALDH1A1 P00352 6/20 0.58
TSHR P16473 3/20 0.58
ESR1 P03372 2/20 0.58
CHRM1 P11229 1/20 0.58
SLC6A2 P23975 1/20 0.58
KDR P35968 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 4/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 3/20 0.50
STAT1 P42224 1/20 0.50
STS P08842 1/20 0.49
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
NR1H2 P55055 1/20 0.47

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
SCHEMBL10605528 0.91 LMNA (0.60) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL10600856 0.88 ALDH1A1 (0.61) LMNAALDH1A1TSHRESR1MAPT
SCHEMBL10603974 0.87 CA12 (0.56) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL10600232 0.85 LMNA (0.50) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL28881217 0.83 ALDH1A1 (0.75) LMNAALDH1A1TSHRESR1CHRM1
Terephthalic Acid SCHEMBL28622229 0.81 LMNA (0.75) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL1995221 0.81 LMNA (0.75) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL29584947 0.81 LMNA (0.60) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL49950 0.81 ALDH1A1 (0.84) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL12311685 0.81 LMNA (0.59) LMNAALDH1A1TSHRESR1CHRM1

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
EP-0168819-B1 THERMOSENSITIVE RECORDING SHEET JUJO PAPER CO., LTD. (JP) 1989-05-03 EP disclosed
US-4695649-A PESTICIDES, PLASTICIZERS, BISP-BENZYLOXY-CARBONYLPHENYL ISOPHTHALATE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-09-22 US disclosed
US-4628336-A POLYPHENYL ESTERS; SOIL RESISTANCE; IMAGE STABILITY JUJO PAPER CO., LTD. (JP) 1986-12-09 US disclosed
EP-0168819-A2 Thermosensitive recording sheet JUJO PAPER CO., LTD. (JP) 1986-01-22 EP disclosed