SCHEMBL7568960

SCHEMBL7568960

O=C(O)OC(=O)O.c1ccc(C2CCCC(c3ccccc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.58
AKR1C1 Q04828 1/20 0.58
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR4 Q5NUL3 4/20 0.42
TRPA1 O75762 1/20 0.41
KMO O15229 1/20 0.41

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) AKR1C3AKR1C1NPC1RAB9AFFAR4
Bicarbonate SCHEMBL7568966 0.88 AKR1C3 (0.60) AKR1C3AKR1C1TRPA1KMO
SCHEMBL7576366 0.88 AKR1C3 (0.55) AKR1C3AKR1C1NPC1RAB9A
SCHEMBL7573341 0.84 AKR1C3 (0.60) AKR1C3AKR1C1NPC1RAB9A
SCHEMBL780234 0.84 AKR1C3 (0.52) AKR1C3AKR1C1TRPA1
SCHEMBL7569180 0.81 MEN1 (0.50) AKR1C3AKR1C1
Bicarbonate SCHEMBL11121465 0.80 AKR1C3 (0.53) AKR1C3AKR1C1NPC1RAB9ATRPA1
Bicarbonate SCHEMBL7572186 0.80 AKR1C3 (0.70) AKR1C3AKR1C1NPC1RAB9A
SCHEMBL1072981 0.78 AKR1C3 (0.79) AKR1C3AKR1C1NPC1RAB9AFFAR4
SCHEMBL10177724 0.78 AKR1C3 (0.79) AKR1C3AKR1C1NPC1RAB9AFFAR4

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