SCHEMBL7576366

SCHEMBL7576366

O=C(O)OC(=O)O.c1ccc(C2CC(c3ccccc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
AKR1C1 Q04828 1/20 0.55
GRIN2B Q13224 6/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HDAC4 P56524 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC18A3 Q16572 3/20 0.39
SIGMAR1 Q99720 3/20 0.39

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
SCHEMBL7572183 0.92 AKR1C3 (0.67) AKR1C3AKR1C1SMN1; SMN2NPSR1NPC1
SCHEMBL7568960 0.88 AKR1C3 (0.58) AKR1C3AKR1C1NPC1RAB9A
SCHEMBL7573341 0.87 AKR1C3 (0.60) AKR1C3AKR1C1GRIN2BNPC1RAB9A
Bicarbonate SCHEMBL7576375 0.86 AKR1C3 (0.57) AKR1C3AKR1C1GRIN2BSMN1; SMN2NPSR1
SCHEMBL11661537 0.81 SLC18A3 (0.52) AKR1C3AKR1C1GAAMAPTSLC18A3
SCHEMBL2766491 0.81 SLC18A3 (0.52) AKR1C3AKR1C1GAAMAPTSLC18A3
SCHEMBL26491020 0.79 AKR1C3 (0.61) AKR1C3AKR1C1GRIN2BSMN1; SMN2NPSR1
SCHEMBL7575974 0.78 SMN1; SMN2 (0.47) AKR1C3AKR1C1SMN1; SMN2NPSR1MAPT
Bicarbonate SCHEMBL7572186 0.77 AKR1C3 (0.70) AKR1C3AKR1C1GRIN2BSMN1; SMN2NPC1
SCHEMBL7388336 0.76 AKR1C3 (0.74) AKR1C3AKR1C1GRIN2BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0926118-B1 Process for the purification of bisphenols and preparation of polycarbonates therefrom GEN ELECTRIC (US) 2002-09-11 EP disclosed
US-6008315-A REACTING A PHENOL AND A KETONE TO FORM BISPHENOL IN SOLUTION OR A MIXED SOLUTION OF PHENOL AND BISPHENOL, AND THE IMPROVEMENT COMPRISES FILTERING IN A NONCONTAMINATING, HEAT RESISTANT, REUSABLE CALCINED METAL FILTER GENERAL ELECTRIC COMPANY (US) 1999-12-28 US disclosed
EP-0926118-A1 Process for the purification of bisphenols and preparation of polycarbonates therefrom GENERAL ELECTRIC COMPANY (US) 1999-06-30 EP disclosed