SCHEMBL9244915

SCHEMBL9244915

CCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCCCCCCC)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.83
▸ NPC1 O15118 1/20 0.83
▸ MAPT P10636 1/20 0.83
▸ RAB9A P51151 1/20 0.83
▸ TSHR P16473 4/20 0.73
▸ ESR1 P03372 4/20 0.73
▸ LMNA P02545 3/20 0.73
▸ CYP1A2 P05177 2/20 0.73
▸ CYP2C19 P33261 2/20 0.73
▸ MAPK1 P28482 2/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ NR1H2 P55055 1/20 0.73
▸ RNASEL Q05823 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ CYP3A4 P08684 2/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ PDE4D Q08499 1/20 0.71
▸ STS P08842 6/20 0.69
▸ AKR1C4 P17516 1/20 0.67
▸ AKR1C3 P42330 1/20 0.67

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
SCHEMBL9355410 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL17982649 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL17984533 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL17982629 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL21048393 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL2867627 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL108213 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL43953 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL111042 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL10332518 1.00 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-0388197-B1 Production of terephthalate esters by degradative transesterification of scrap or virgin terephthalate polyesters SYNERGISTICS IND LTD (CA) 1995-06-21 — — EP disclosed
US-5319128-A Reacting terephthalate polyester with high molecular weight alcohol or mixture of alcohols in presence of catalyst, recovering ester SYNERGISTICS INDUSTRIES, LTD. (CA) 1994-06-07 — — US disclosed
US-5101064-A Reuse of polyester scrap from food packages and bottles SYNERGISTICS INDUSTRIES LIMITED (CA) 1992-03-31 — — US disclosed
EP-0388197-A1 Production of terephthalate esters by degradative transesterification of scrap or virgin terephthalate polyesters Synergistics Industries Limited (CA) 1990-09-19 — — EP disclosed
Send feedback