SCHEMBL9169230

SCHEMBL9169230

CC(C)(C)c1cc(CCC(=O)Oc2ccccc2)ccc1OP(Oc1ccc(CCC(=O)Oc2ccccc2)cc1C(C)(C)C)Oc1ccc(CCC(=O)Oc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
AKR1C3 P42330 5/20 0.38
FFAR4 Q5NUL3 4/20 0.38
MAPT P10636 1/20 0.37
FFAR1 O14842 5/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PLA2G4A P47712 1/20 0.36

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
SCHEMBL9171483 0.90 LMNA (0.41) KMT2AAKR1C3FFAR4MAPTFFAR1
SCHEMBL9170757 0.89 KMT2A (0.40) KMT2AMAPTFFAR1
SCHEMBL9858174 0.85 FFAR4 (0.44) KMT2AAKR1C3FFAR4MAPTFFAR1
SCHEMBL9167446 0.84 SMN1; SMN2 (0.41) KMT2AAKR1C3FFAR4FFAR1
SCHEMBL2612488 0.84 GAA (0.42) KMT2A
SCHEMBL9172620 0.83 KMT2A (0.49) KMT2AMAPTFFAR1
SCHEMBL27941396 0.80 GAA (0.52) KMT2A
SCHEMBL2612478 0.79 PTPN1 (0.45) KMT2AFFAR4FFAR1
SCHEMBL9172712 0.78 APP (0.41) AKR1C3
SCHEMBL2612476 0.78 PTPN1 (0.44) KMT2AFFAR4

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-0335262-B1 Phosphite compounds YOSHITOMI PHARMACEUTICAL (JP) 1995-05-31 EP claimed
EP-0335262-B1 Phosphite compounds YOSHITOMI PHARMACEUTICAL (JP) 1995-05-31 EP disclosed
US-5077424-A Antioxidants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-12-31 US disclosed
EP-0335262-A2 Phosphite compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-10-04 EP disclosed