SCHEMBL10600856

SCHEMBL10600856

CCCCCCCCOC(=O)c1ccc(-c2c(C(=O)O)ccc(C(=O)O)c2-c2ccc(C(=O)OCCCCCCCC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
CNR2 P34972 1/20 0.56
TSHR P16473 4/20 0.54
LMNA P02545 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPK1 P28482 2/20 0.54
ESR1 P03372 1/20 0.54
CYP2D6 P10635 1/20 0.54
NR1H2 P55055 1/20 0.54
RNASEL Q05823 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
STS P08842 6/20 0.53
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 1/20 0.52
PDE4D Q08499 1/20 0.52
RARB P10826 3/20 0.52

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 0.94 LMNA (0.60) ALDH1A1NPC1MAPTRAB9ACNR2
SCHEMBL9718262 0.89 PTPN11 (0.55) ALDH1A1NPC1MAPTRAB9ACNR2
SCHEMBL10600800 0.88 LMNA (0.60) ALDH1A1NPC1MAPTRAB9ACNR2
SCHEMBL8606608 0.85 RARB (0.70) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL11759929 0.85 ALDH1A1 (0.76) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL9784771 0.85 ALDH1A1 (0.76) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL28299209 0.84 ALDH1A1 (0.62) ALDH1A1NPC1MAPTRAB9ATSHR
Phthalic Acid SCHEMBL28042168 0.84 TSHR (0.71) ALDH1A1NPC1MAPTRAB9ACNR2
SCHEMBL3262569 0.84 RARB (0.68) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL1993625 0.84 ALDH1A1 (0.73) ALDH1A1NPC1MAPTRAB9ATSHR

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