SCHEMBL8203877

SCHEMBL8203877

Cc1cccc(CCOc2ccc(/C=C3\SC(=O)NC3=O)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.71
PIM1 P11309 2/20 0.61
PIM2 Q9P1W9 2/20 0.61
CISD1 Q9NZ45 2/20 0.57
HDAC4 P56524 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
PTPN1 P18031 1/20 0.53
POLB P06746 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53

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
SCHEMBL8203880 1.00 HPGD (0.71) HPGDPIM1PIM2CISD1HDAC4
SCHEMBL4762769 0.89 HPGD (0.71) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL8203885 0.88 HPGD (0.54) HPGDPIM1PIM2CISD1HDAC4
SCHEMBL1299214 0.83 HPGD (1.00) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL1299215 0.83 HPGD (1.00) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL9311521 0.81 HPGD (0.69) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL9311517 0.81 HPGD (0.69) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL8196269 0.78 SMN1; SMN2 (0.48) HPGDHDAC8
SCHEMBL20642164 0.78 HPGD (0.56) HPGDPIM1PIM2CISD1POLB
SCHEMBL9312021 0.78 HPGD (0.61) HPGDPIM1PIM2CISD1PTPN1

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-RE36575-E Pyridine and thiazolidinedione derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-15 US disclosed
EP-0257781-B1 A METHOD FOR PRODUCING THIAZOLIDINEDIONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP disclosed
US-4898947-A Pyridine and thiazolidinedione derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-06 US disclosed
US-4812570-A Method for producing thiazolidinedione derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-03-14 US disclosed
EP-0257781-A1 A method for producing thiazolidinedione derivatives Takeda Chemical Industries, Ltd. (JP) 1988-03-02 EP disclosed