SCHEMBL15969889

SCHEMBL15969889

O=CNC(=CC(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NFE2L2 Q16236 1/20 0.41
CES1 P23141 3/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 2/20 0.39
TSHR P16473 3/20 0.39
CES2 O00748 2/20 0.39
DAO P14920 1/20 0.39

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
SCHEMBL1942392 0.78 ALDH1A1 (0.52) ALDH1A1ALOX15MEN1KMT2AKDM4E
SCHEMBL4536997 0.78 TDP1 (0.45) TDP1MAPK1ALDH1A1NFE2L2CES1
SCHEMBL4536988 0.78 TDP1 (0.45) TDP1MAPK1ALDH1A1NFE2L2CES1
SCHEMBL4536993 0.78 TDP1 (0.45) TDP1MAPK1ALDH1A1NFE2L2CES1
SCHEMBL6648182 0.76 MTNR1A (0.44) TDP1MAPK1ALDH1A1NFE2L2CES1
SCHEMBL14482453 0.76 EPHX1 (0.50) TDP1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL388144 0.76 MTNR1A (0.44) TDP1MAPK1ALDH1A1NFE2L2CES1
SCHEMBL5072835 0.76 MTNR1A (0.44) TDP1MAPK1ALDH1A1NFE2L2CES1
SCHEMBL14482458 0.76 EPHX1 (0.50) TDP1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL11211096 0.76 RAB9A (0.39) TDP1MAPK1ALDH1A1CES1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689673-B2 Bioconversion process for producing nylon-7, nylon-7,7 and polyesters INVISTA NORTH AMERICA S.A.R.L. (US) 2020-06-23 US disclosed
US-10577634-B2 Bioconversion process for producing nylon-7, nylon-7,7 and polyesters INVISTA NORTH AMERICA S.A.R.L. (US) 2020-03-03 US disclosed
US-20170298396-A1 BIOCONVERSION PROCESS FOR PRODUCING NYLON-7, NYLON-7,7 AND POLYESTERS INV NYLON CHEMICALS AMERICAS, LLC 2017-10-19 US disclosed
US-9650653-B2 Bioconversion process for producing nylon-7, nylon-7,7 and polyesters INVISTA NORTH AMERICA S.A.R.L. (US) 2017-05-16 US disclosed
US-20150337275-A1 BIOCONVERSION PROCESS FOR PRODUCING NYLON-7, NYLON-7,7 AND POLYESTERS INVISTA TECHNOLOGIES S.A.R.L. (CH) 2015-11-26 US disclosed
US-20140242655-A1 Bioconversion Process for Producing Nylon-7, Nylon-7, 7 and Polyesters INVISTA TECHNOLOGIES S.A R.L. (CH) 2014-08-28 US disclosed
CN-104011216-A Bioconversion process for producing nylon-7, nylon-7,7 and polyesters INVISTA TECHONOLOGIES S A R L 2014-08-27 CN disclosed