SCHEMBL4607835

SCHEMBL4607835

CCOCCOc1cc(C=C(C)C(=O)O)ccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 6/20 0.38
FDPS P14324 4/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.36
APP P05067 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
HDAC1 Q13547 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35

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
SCHEMBL4218503 1.00 AKR1C3 (0.39) AKR1C3POLBKDM4EFDPSKMT2A
SCHEMBL4223938 1.00 AKR1C3 (0.39) AKR1C3POLBKDM4EFDPSKMT2A
SCHEMBL4219857 0.90 KDM4E (0.47) AKR1C3POLBKDM4EFDPSKMT2A
SCHEMBL4219853 0.90 KDM4E (0.47) AKR1C3POLBKDM4EFDPSKMT2A
SCHEMBL4215918 0.87 KDM4E (0.42) AKR1C3POLBKDM4EKMT2AGAA
SCHEMBL68302 0.87 KDM4E (0.42) AKR1C3POLBKDM4EKMT2AGAA
SCHEMBL68303 0.87 KDM4E (0.42) AKR1C3POLBKDM4EKMT2AGAA
SCHEMBL4229402 0.86 POLB (0.38) POLBKDM4EFDPSKMT2AGAA
SCHEMBL4229405 0.85 FDPS (0.41) POLBKDM4EFDPSKMT2AGAA
SCHEMBL4218498 0.85 KDM4E (0.39) POLBKDM4EFDPSKMT2AGAA

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
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO disclosed