SCHEMBL22228652

SCHEMBL22228652

C=Cc1cc(C(=O)O)nc(C(=O)O)c1.C=Cc1ccc(C=C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALOX15 P16050 3/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ACMSD Q8TDX5 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HDAC2 Q92769 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
TBK1 Q9UHD2 1/20 0.36
MCL1 Q07820 2/20 0.36
KDM6B O15054 1/20 0.34
TET3 O43151 1/20 0.34
KDM4A O75164 1/20 0.34
BBOX1 O75936 1/20 0.34
MAPT P10636 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5C P41229 1/20 0.34
ASPH Q12797 1/20 0.34
KDM4D Q6B0I6 1/20 0.34

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
SCHEMBL20876169 0.94 ALOX15 (0.54) TSHRALOX15HIF1ATDP1KDM4E
SCHEMBL28291362 0.87 MCL1 (0.50) TSHRALOX15HIF1ATDP1KDM4E
SCHEMBL15046965 0.77 TDP1 (0.56) TSHRALOX15HIF1ATDP1KDM4E
SCHEMBL6121546 0.77 ALOX15 (0.37) TSHRALOX15HIF1AALDH1A1MAPT
SCHEMBL31633475 0.74 KDM4E (0.55) KDM4EALDH1A1P4HTMKDM6BTET3
SCHEMBL6568282 0.74 KDM4E (0.55) KDM4EALDH1A1P4HTMKDM6BTET3
SCHEMBL787223 0.74 MCL1 (0.49) KDM4EALDH1A1MCL1KMO
SCHEMBL28745326 0.73 KDM4E (0.53) KDM4EALDH1A1P4HTMKDM6BTET3
SCHEMBL12599790 0.73 MGAM (0.51) TSHRALOX15TDP1KDM4EACMSD
Hydrogen Peroxide SCHEMBL28624206 0.72 ALDH1A1 (0.85) TSHRTDP1ALDH1A1HDAC2MCL1

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-11332566-B2 Polymers, methods for preparing same, and uses thereof particularly for metal capture Universite Paris-Saclay (FR) 2022-05-17 US disclosed
US-20200231729-A1 NOVEL POLYMERS, METHODS FOR PREPARING SAME, AND USES THEREOF PARTICULARLY FOR METAL CAPTURE Universite Paris-Saclay (FR) 2020-07-23 US disclosed