SCHEMBL11016436

SCHEMBL11016436

CCN(CC)CC.COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C[C@@H]2OP(=O)(O)Oc2ccccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TYMP P19971 1/20 0.33
▸ POLA1 P09884 1/20 0.31
▸ PDE5A O76074 3/20 0.31
▸ PDE1B Q01064 3/20 0.31
▸ PDE4D Q08499 3/20 0.31
▸ PDE9A O76083 2/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ PDE8A O60658 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ IMPDH2 P12268 1/20 0.30
▸ IMPDH1 P20839 1/20 0.30
▸ TERT O14746 1/20 0.30

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
SCHEMBL11281236 0.90 KDM4E (0.46) KDM4ETAS1R3TAS1R1TYMPPOLA1
SCHEMBL15083528 0.86 KDM4E (0.49) KDM4ETAS1R3TAS1R1TYMPPOLA1
SCHEMBL7534659 0.82 KDM4E (0.49) KDM4ETAS1R3TAS1R1TYMPPOLA1
SCHEMBL2113125 0.82 KDM4E (0.49) KDM4ETAS1R3TAS1R1TYMPPOLA1
SCHEMBL4553693 0.82 KDM4E (0.51) KDM4ETAS1R3TAS1R1TYMPPOLA1
SCHEMBL11130624 0.80 KDM4E (0.48) KDM4ETAS1R3TAS1R1TYMPPOLA1
SCHEMBL23157264 0.80 KDM4E (0.48) KDM4ETAS1R3TAS1R1TYMPPOLA1
SCHEMBL10788490 0.80 KDM4E (0.49) KDM4ETAS1R3TAS1R1TYMPPOLA1
SCHEMBL17222397 0.78 KDM4E (0.47) KDM4ETAS1R3TAS1R1TYMPPOLA1
Pyridine SCHEMBL10491050 0.77 KDM4E (0.47) KDM4ETAS1R3TAS1R1TYMPPOLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145486-A2 Microbiological process GLAXO GROUP LIMITED (GB) 1985-06-19 — — EP disclosed
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