SCHEMBL6256903

SCHEMBL6256903

C=CCOC(=O)c1ccc(C(=O)OCCCCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
NPC1 O15118 1/20 0.63
MAPT P10636 1/20 0.63
RAB9A P51151 1/20 0.63
TSHR P16473 4/20 0.59
LMNA P02545 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
MAPK1 P28482 2/20 0.59
ESR1 P03372 2/20 0.59
CYP2D6 P10635 1/20 0.59
NR1H2 P55055 1/20 0.59
RNASEL Q05823 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 1/20 0.58
PDE4D Q08499 1/20 0.58
STS P08842 6/20 0.56
TP53 P04637 1/20 0.53
HPGD P15428 1/20 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
SCHEMBL28297350 0.93 TDP1 (0.63) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL28864110 0.88 LMNA (0.61) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL11724043 0.87 TSHR (0.56) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL1994995 0.87 ALDH1A1 (0.80) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL9065792 0.86 RARB (0.60) NPC1TSHRLMNACYP1A2CYP2C19
SCHEMBL12972496 0.86 ESR1 (0.59) TSHRLMNACYP1A2CYP2C19MAPK1
SCHEMBL10447466 0.85 RARB (0.63) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL513788 0.85 TSHR (0.77) ALDH1A1MAPTTSHRLMNAMAPK1
SCHEMBL108412 0.85 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL10332378 0.85 ALDH1A1 (0.83) 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-0980884-B1 Process for preparing ester amides and polyesteramides GEN ELECTRIC (US) 2005-06-01 EP disclosed
JP-2000136244-A PRODUCTION OF BOTH ESTER AMIDE AND POLYESTERAMIDE GENERAL ELECTRIC CO <GE> 2000-05-16 JP disclosed
US-6054552-A ESTER INTERCHANGE; REACTING WITH ALKYLENEDIAMINE; POLYMERIZATION WITH DIOL GENERAL ELECTRIC COMPANY (US) 2000-04-25 US disclosed
EP-0980884-A1 Process for preparing ester amides and polyesteramides GENERAL ELECTRIC COMPANY (US) 2000-02-23 EP disclosed