SCHEMBL7572183

SCHEMBL7572183

O=C(O)OC(=O)O.c1ccc(C2CCC(c3ccccc3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
AKR1C1 Q04828 1/20 0.67
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DEGS1 O15121 1/20 0.41
SLC18A3 Q16572 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
LIPG Q9Y5X9 3/20 0.39
LMNA P02545 1/20 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
SCHEMBL7568960 0.92 AKR1C3 (0.58) AKR1C3AKR1C1NPC1RAB9AFFAR4
SCHEMBL7573341 0.92 AKR1C3 (0.60) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL7576366 0.92 AKR1C3 (0.55) AKR1C3AKR1C1NPC1RAB9ASLC18A3
Bicarbonate SCHEMBL7572186 0.87 AKR1C3 (0.70) AKR1C3AKR1C1NPC1RAB9ASLC18A3
SCHEMBL10895189 0.82 AKR1C3 (0.61) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL1073107 0.80 AKR1C3 (1.00) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL26144401 0.80 AKR1C3 (1.00) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL17811172 0.80 AKR1C3 (1.00) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL7575974 0.79 SMN1; SMN2 (0.47) AKR1C3AKR1C1SMN1; SMN2NPSR1MAPT
Bicarbonate SCHEMBL7568966 0.79 AKR1C3 (0.60) AKR1C3AKR1C1SLC18A3

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