SCHEMBL24070571

SCHEMBL24070571

CNC(=O)c1ccc(C=O)c(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.50
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC2 Q92769 1/20 0.48
THRB P10828 1/20 0.46
PLAU P00749 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACSS2 Q9NR19 2/20 0.43
CA2 P00918 1/20 0.42
MMP13 P45452 1/20 0.41

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
SCHEMBL12132593 0.85 PLAU (0.47) PLK1HDAC8HDAC6HDAC2THRB
SCHEMBL29951666 0.85 ERN1 (0.54) PLK1HDAC8HDAC6HDAC2THRB
SCHEMBL15920688 0.85 PLK1 (0.47) PLK1HDAC8HDAC6HDAC2THRB
SCHEMBL29952332 0.85 PLK1 (0.47) PLK1HDAC8HDAC6HDAC2THRB
SCHEMBL20017813 0.84 PLK1 (0.46) PLK1HDAC8HDAC6HDAC2THRB
SCHEMBL25128750 0.78 KMT2A (0.45) THRBSMN1; SMN2HPGDHTTTDP1
SCHEMBL268917 0.77 TDP1 (0.42) THRBSMN1; SMN2HPGDTSHRHTT
SCHEMBL17747083 0.77 ALDH1A1 (0.58) SMN1; SMN2HPGDHTTTDP1CA2
SCHEMBL4918747 0.75 ALDH1A1 (0.52) THRBSMN1; SMN2HPGDTSHRTDP1
SCHEMBL29941258 0.75 ALDH1A1 (0.52) THRBSMN1; SMN2HPGDTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974462-B1 POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD THEREFOR, AND POLYETHYLENE GLYCOL HYDROGEL ENABLING FAST CROSSLINKING REACTION CHANGCHUN INST APPLIED CHEMISTRY CAS (CN) 2024-04-17 EP disclosed
US-20230002554-A1 POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD THEREOF, AND POLYETHYLENE GLYCOL HYDROGEL CAPABLE OF PRODUCING A RAPID CROSSLINKING REACTION CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2023-01-05 US disclosed
EP-3974462-A1 POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD THEREFOR, AND POLYETHYLENE GLYCOL HYDROGEL ENABLING FAST CROSSLINKING REACTION Changchun Institute Of Applied Chemistry Chinese Academy Of Sciences (CN) 2022-03-30 EP disclosed
WO-2021237864-A1 POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD THEREFOR, AND POLYETHYLENE GLYCOL HYDROGEL ENABLING FAST CROSSLINKING REACTION 中国科学院长春应用化学研究所 2021-12-02 WO disclosed