Isophthalic Acid

Isophthalic Acid

SCHEMBL589816

NCCNCCNCCNCCN.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
UNG P13051 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
FOLH1 Q04609 1/20 0.46
KIF11 P52732 1/20 0.45
ANPEP P15144 1/20 0.45
ENPEP Q07075 1/20 0.45
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMO O15229 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEP1B Q16820 1/20 0.44

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
Isophthalic Acid SCHEMBL5671924 0.82 CA12 (0.52) UNGCA12CA1CA2CA6
Isophthalic Acid SCHEMBL30479216 0.82 CA12 (0.52) UNGCA12CA1CA2CA6
Isophthalic Acid SCHEMBL259040 0.82 CA12 (0.52) UNGCA12CA1CA2CA6
Isophthalic Acid SCHEMBL5670699 0.82 CA12 (0.52) UNGCA12CA1CA2CA6
SCHEMBL7880194 0.82 KDM4E (0.70) KDM4EPKML3MBTL1CYP1A2HSD17B10
SCHEMBL11412172 0.82 SMN1; SMN2 (0.60) KDM4EL3MBTL1CYP1A2HSD17B10
Terephthalic Acid SCHEMBL28028514 0.82 TSHR (0.55) KDM4ECA12CA1CA2CA6
Isophthalic Acid SCHEMBL2802645 0.81 NAAA (0.50)
Benzoic Acid SCHEMBL27395012 0.81 DAO (0.47) KDM4EL3MBTL1CYP2C9HPGD
Trientine SCHEMBL2744613 0.80 NR1H4 (0.47) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114819-B2 Polymers for oilfield applications BAKER HUGHES INCORPORATED (US) 2012-02-14 US disclosed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US disclosed