SCHEMBL7573341

SCHEMBL7573341

O=C(O)OC(=O)O.c1ccc(C2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.60
AKR1C1 Q04828 1/20 0.60
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SLC18A3 Q16572 5/20 0.48
SIGMAR1 Q99720 2/20 0.48
DEGS1 O15121 1/20 0.46
LIPG Q9Y5X9 1/20 0.43
GRIN2B Q13224 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 1/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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) AKR1C3AKR1C1NPC1RAB9ASLC18A3
SCHEMBL7576366 0.87 AKR1C3 (0.55) AKR1C3AKR1C1NPC1RAB9ASLC18A3
Bicarbonate SCHEMBL7573346 0.86 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9ASLC18A3
Bicarbonate SCHEMBL1720488 0.86 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9ASLC18A3
SCHEMBL7568960 0.84 AKR1C3 (0.58) AKR1C3AKR1C1NPC1RAB9A
Hydrogen Peroxide SCHEMBL2353767 0.83 SLC18A3 (0.64) AKR1C3AKR1C1NPC1RAB9ASLC18A3
SCHEMBL7575974 0.83 SMN1; SMN2 (0.47) AKR1C3AKR1C1ALDH1A1KDM4EMAPT
SCHEMBL664284 0.83 NPC1 (0.79) AKR1C3AKR1C1NPC1RAB9ASLC18A3
SCHEMBL11099195 0.83 AKR1C3 (0.66) AKR1C3AKR1C1NPC1RAB9ASLC18A3
SCHEMBL3516198 0.83 NPC1 (0.79) AKR1C3AKR1C1NPC1RAB9ASLC18A3

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