SCHEMBL2593577

SCHEMBL2593577

NC(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.61
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
SRD5A2 P31213 3/20 0.52
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 3/20 0.50
CA3 P07451 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
ALOX15 P16050 1/20 0.48
TPMT P51580 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL16562177 0.93 ANPEP (0.55) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL16562179 0.93 ANPEP (0.55) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL3296429 0.89 TSHR (0.68) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL3296425 0.89 TSHR (0.68) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL27315463 0.85 ANPEP (0.61) ANPEPTSHRTP53SRD5A2CA1
Hydrochloric Acid SCHEMBL27615157 0.83 ANPEP (0.59) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL14686329 0.83 ANPEP (0.59) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL4448319 0.81 ANPEP (0.57) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL4878931 0.81 ANPEP (0.57) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL8258234 0.81 HSD17B10 (0.57) ANPEPTSHRTP53SRD5A2CA1

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
EP-2569081-B1 POLYMERS, POLYMER MEMBRANES AND METHODS OF PRODUCING THE SAME AIR PROD & CHEM (US) 2017-08-23 EP disclosed
US-8926733-B2 Polymers, polymer membranes and methods of producing the same AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-01-06 US disclosed
EP-2569081-A1 POLYMERS, POLYMER MEMBRANES AND METHODS OF PRODUCING THE SAME Air Products and Chemicals, Inc. (US) 2013-03-20 EP disclosed
US-20130047844-A1 POLYMERS, POLYMER MEMBRANES AND METHODS OF PRODUCING THE SAME AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-02-28 US disclosed
WO-2011143530-A1 POLYMERS, POLYMER MEMBRANES AND METHODS OF PRODUCING THE SAME AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-11-17 WO disclosed