SCHEMBL6368998

SCHEMBL6368998

NC(Cc1ccccc1)C(=O)OCCCCOC(=O)C(N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
PTGS1 P23219 1/20 0.61
XIAP P98170 1/20 0.61
SLC7A5 Q01650 1/20 0.61
LTA4H P09960 1/20 0.54
SLC15A1 P46059 2/20 0.53
LMNA P02545 1/20 0.50
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HDAC8 Q9BY41 2/20 0.47
SRR Q9GZT4 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.46
CTSC P53634 1/20 0.45

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
SCHEMBL26231121 0.98 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL19167232 0.98 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15590174 0.98 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14095415 0.98 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14095409 0.96 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL745261 0.94 LMNA (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28806508 0.94 LMNA (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL26359430 0.93 ALPI (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15679078 0.93 ALPI (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL299866 0.92 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894063-B1 POLY(ESTER UREA) MICROCAPSULES FIRMENICH & CIE (CH) 2024-01-10 EP disclosed
EP-3894064-B1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH & CIE (CH) 2023-11-15 EP disclosed
US-20220081653-A1 POLY(ESTER UREA) MICROCAPSULES FIRMENICH SA (CH) 2022-03-17 US disclosed
EP-3894063-A1 POLY(ESTER UREA) MICROCAPSULES Firmenich SA (CH) 2021-10-20 EP disclosed
WO-2020234262-A1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH SA (CH) 2020-11-26 WO disclosed
WO-2020234263-A1 POLY(ESTER UREA) MICROCAPSULES FIRMENICH SA (CH) 2020-11-26 WO disclosed
WO-2020234263-A1 POLY(ESTER UREA) MICROCAPSULES FIRMENICH SA (CH) 2020-11-26 WO disclosed
US-9375519-B2 Bioerodable poly(etheresteramides) and medical article uses SURMODICS, INC. (US) 2016-06-28 US disclosed
US-9375519-B2 Bioerodable poly(etheresteramides) and medical article uses SURMODICS, INC. (US) 2016-06-28 US disclosed
US-8993686-B2 Multiamino acid-based poly(ester amide)s CORNELL UNIVERSITY (US) 2015-03-31 US disclosed
WO-2013033683-A2 POLY(ESTER AMIDE)S AND POLY(ESTER ETHER AMIDE)S WITH ALIPHATIC POLYESTERS, METHOD OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY (US) 2013-03-07 WO disclosed
US-20120123064-A1 Multiamino Acid-Based Poly(Ester Amide)s CORNELL UNIVERSITY (US) 2012-05-17 US disclosed
US-20120123064-A1 Multiamino Acid-Based Poly(Ester Amide)s CORNELL UNIVERSITY (US) 2012-05-17 US disclosed