SCHEMBL7628128

SCHEMBL7628128

O=C(O)CNc1ccc(N(CC(=O)O)CC(=O)O)c(CC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.36
▸ KEAP1 Q14145 2/20 0.35
▸ NFE2L2 Q16236 2/20 0.35
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ HSD17B14 Q9BPX1 1/20 0.33
▸ CFD P00746 1/20 0.33
▸ BCAT2 O15382 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ CA4 P22748 2/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32

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
SCHEMBL1930853 0.76 EGFR (0.53) EGFRTDP1CA12CA1CA2
SCHEMBL1930556 0.73 SMN1; SMN2 (0.46) EGFRSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL8668410 0.70 EGFR (0.40) EGFRCA12CA1CA2CA9
SCHEMBL5692310 0.70 ALDH1A1 (0.44) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL18055616 0.68 TDP1 (0.50) TDP1KEAP1NFE2L2CA1CA2
SCHEMBL13611310 0.68 FFAR1 (0.59) CA2AKR1B1SMN1; SMN2RAB9AMEN1
SCHEMBL809030 0.67 ALDH1A1 (0.60) SMN1; SMN2RAB9AMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL11060114 0.67 ALDH1A1 (0.60) SMN1; SMN2RAB9AMEN1NPC1KMT2A
SCHEMBL340537 0.67 AKR1C3 (0.55) CA12CA1CA2CA9CA4
SCHEMBL851008 0.66 ERCC1 (0.60) EGFRTDP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458869-B1 ETCHANT/PRIMER COMPOSITION, AN ETCHANT/PRIMER/ADHESIVE MONOMER COMPOSITION, KITS USING THE SAME AND METHODS USING THE SAME FOR IMPROVED BONDING TO DENTAL STRUCTURES. THE ETCHANT/PRIMER COMPOSITION COMPRISES A COMPOUND HAVING THE NATIONAL INSTITUTE OF STANDARDS OF TECHNOLOGY 2002-10-01 — — US disclosed
EP-0741557-B1 A METHOD AND COMPOSITION FOR PROMOTING IMPROVED ADHESION TO SUBSTRATES US COMMERCE (US) 1999-07-07 — — EP disclosed
US-5756560-A Method and composition for promoting improved adhesion to substrates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE COMMERCE (US) 1998-05-26 — — US disclosed
US-5690840-A Method and composition for promoting improved adhesion to substrates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF COMMERCE (US) 1997-11-25 — — US disclosed
US-5498643-A Method and composition for promoting improved adhesion to substrates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF COMMERCE (US) 1996-03-12 — — US disclosed
Send feedback