SCHEMBL22972761

SCHEMBL22972761

O=C(O)c1ccc(N(c2ccc(C(=O)O)cc2)c2ccc(N(c3ccc(N(c4ccc(C(=O)O)cc4)c4ccc(C(=O)O)cc4)cc3)c3ccc(N(c4ccc(C(=O)O)cc4)c4ccc(C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
TP53 P04637 1/20 0.67
SRD5A2 P31213 4/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA3 P07451 1/20 0.55
TYR P14679 1/20 0.55
DRD1 P21728 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
DAO P14920 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL17040204 1.00 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL2029621 1.00 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL1246652 0.93 TSHR (0.59) TSHRTP53SRD5A2CA1CA2
SCHEMBL2596293 0.93 TSHR (0.59) TSHRTP53SRD5A2CA1CA2
SCHEMBL15569594 0.93 BCL2L1 (0.58) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL10615446 0.90 TSHR (0.62) TSHRTP53SRD5A2CA1CA2
SCHEMBL22987173 0.89 ALDH1A1 (0.58) TSHRTP53SRD5A2CA1CA2
SCHEMBL3818317 0.89 TSHR (0.52) TSHRTP53SRD5A2CA1CA2
SCHEMBL18364482 0.89 TP53 (0.52) TSHRTP53SRD5A2CA1CA2
SCHEMBL8849509 0.89 NPC1 (0.69) TSHRTP53ALDH1A1ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397399-A2 MEMBRANES COMPRISING A LAYER OF METAL ORGANIC FRAMEWORK PARTICLES G2O Water Technologies Limited (GB) 2024-07-10 EP claimed
EP-3774001-A1 MEMBRANES COMPRISING A LAYER OF METAL ORGANIC FRAMEWORK PARTICLES G2O Water Technologies Limited (GB) 2021-02-17 EP claimed
EP-4397399-A2 MEMBRANES COMPRISING A LAYER OF METAL ORGANIC FRAMEWORK PARTICLES G2O Water Technologies Limited (GB) 2024-07-10 EP disclosed
EP-4304765-A1 SPACER FOR A SPIRAL WOUND MEMBRANE Evove Ltd (GB) 2024-01-17 EP disclosed
EP-4304766-A1 MEMBRANE DEVICE Evove Ltd (GB) 2024-01-17 EP disclosed
EP-3774001-A1 MEMBRANES COMPRISING A LAYER OF METAL ORGANIC FRAMEWORK PARTICLES G2O Water Technologies Limited (GB) 2021-02-17 EP disclosed